[ CAS No. 103-19-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}

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Quality Control of [ 103-19-5 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 103-19-5 ]

SDS Specification

Alternatived Products of [ 103-19-5 ]

Product Citations

Synthesis of N-Sulfenylimines from Disulfides and Primary Methanamines

Robert Kaw?cki ; JOC,2022,87(11):7514-7520. DOI: 10.1021/acs.joc.2c00415 PubMed ID: 35587955

Abstract: N-Sulfenylimines (sulfenimines, thiooximes, N-alkylidenesulfenamides) were efficiently synthesized through the reaction of primary amines and disulfides with NBS or bromine. This reaction can be carried out in an open flask at room temperature without the need for any transition-metal-containing additives. The use of thiols instead of disulfides gave similar results. A wide range of amines were reacted with aryl and alkyldisulfides, resulting in the formation of sulfenimines in a yield of 44–99%.

Purchased from AmBeed: 3300-51-4 ; 104-86-9 ; 623-33-6 ; 3959-07-7 ; 27757-85-3 ; 100-32-3 ; 629-19-6 ; 91-00-9 ; 5335-87-5 ; 3731-51-9 ; 6850-57-3 ; 128-08-5 ; 103-19-5 ; 2393-23-9

Product Details of [ 103-19-5 ]

CAS No. :	103-19-5	MDL No. :	MFCD00008547
Formula :	C₁₄H₁₄S₂	Boiling Point :	-
Linear Structure Formula :	(CH₃C₆H₄)₂S₂	InChI Key :	TZOVOULUMXXLOJ-UHFFFAOYSA-N
M.W :	246.39	Pubchem ID :	66027
Synonyms :

Calculated chemistry of [ 103-19-5 ] Expand+

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.14
Num. rotatable bonds :	3
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	74.53
TPSA :	50.6 ?2

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.15 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.32
Log Po/w (XLOGP3) :	5.14
Log Po/w (WLOGP) :	5.1
Log Po/w (MLOGP) :	4.95
Log Po/w (SILICOS-IT) :	4.66
Consensus Log Po/w :	4.64

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-4.96
Solubility :	0.00268 mg/ml ; 0.0000109 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.95
Solubility :	0.000278 mg/ml ; 0.00000113 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-5.92
Solubility :	0.000299 mg/ml ; 0.00000121 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.28

Safety of [ 103-19-5 ]

Signal Word:	Danger	Class:	9
Precautionary Statements:	P264-P270-P280-P301+P312+P330-P305+P351+P338+P310-P501	UN#:	3335
Hazard Statements:	H302-H318	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 103-19-5 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 103-19-5 ]
Downstream synthetic route of [ 103-19-5 ]

[ 103-19-5 ] Synthesis Path-Upstream 1~1

1
[ 103-19-5 ]
[ 74-86-2 ]
[ 14315-14-1 ]

Reference： [1] Journal of the Institute of Polytechnics, Osaka City University, Series C: Chemistry, 1950, vol. <C> 1, # 2, p. 31[2] Nippon Kagaku Zasshi, 1952, vol. 73, p. 246

[ 103-19-5 ] Synthesis Path-Downstream 1~12

1
[ 933-00-6 ]
[ 2943-42-2 ]
[ 538-28-3 ]
[ 103-19-5 ]
[ 35469-22-8 ]

Reference： [1]Acta Chimica Academiae Scientiarum Hungaricae,1980,vol. 105,p. 171 - 174

2
[ 103-19-5 ]
[ 538-28-3 ]
[ 35469-22-8 ]

Reference： [1]Tetrahedron,1981,vol. 37,p. 37 - 44

3
[ 2943-42-2 ]
[ 538-28-3 ]
[ 103-19-5 ]
[ 35469-22-8 ]

Reference： [1]Tetrahedron,1981,vol. 37,p. 37 - 44

4
[ 6481-73-8 ]
[ 538-28-3 ]
[ 103-19-5 ]
[ 35469-22-8 ]

Reference： [1]Tetrahedron,1981,vol. 37,p. 37 - 44

5
[ 103-19-5 ]
[ 19591-17-4 ]
N-[2-(4-methylphenylthio)phenyl]acetamide [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2004,vol. 69,p. 915 - 920

6
[ 103-19-5 ]
[ 157869-15-3 ]
[ 1285494-84-9 ]

Yield	Reaction Conditions	Operation in experiment
82%	With copper(l) iodide; caesium carbonate; In dimethyl sulfoxide; at 80℃;	A mixture of 2-alkynylaniline 1a-1e (0.2 mmol), dichalcogenide 2a-2e (0.15 mmol), CuI (0.02 mmol), and Cs2CO3 (0.2 mmol) in DMSO (2 mL) was stirred at 80 C under an air atmosphere. After completion of the reaction that was monitored by GC-MS or TLC, 25 mL water was added, and the mixture was extracted with ethyl acetate, the combined organic layers were washed with water (10 mL x 3), dried over anhydrous Na2SO4. After filtration and removal of solvents in vacuum, the residue was purified by silica gel column chromatography to afford the corresponding products.

Reference： [1]Tetrahedron Letters,2011,vol. 52,p. 1343 - 1347

7
[ 103-19-5 ]
[ 66176-17-8 ]
[ 1423629-64-4 ]

Yield	Reaction Conditions	Operation in experiment
83%	With sodium dithionite; water; potassium carbonate; In dimethyl sulfoxide; at 60℃; for 0.75h;	General procedure: A mixture of isatoic anhydride 1 (0.6 mmol), disulfide 2 (0.2 mmol), and Na2S2O4 (0.9 mmol) in undried DMSO (2 mL) was stirred at 60 C for respective time in Table 2 and Scheme 2. After the completion of the reaction, as monitored by TLC and GC-MS analysis, the reaction mixture washed with brine and extracted with ethyl acetate. The organic phase was separated and dried over anhydrous magnesium sulfate and filtered. The filtrate was concentrated and the resulting residue was purified by column chromatography on silica gel (300-400 mesh) with petroleum ether-EtOAc as eluent to provide the desired product.

Reference： [1]Tetrahedron,2013,vol. 69,p. 2283 - 2288

8
[ 1455-20-5 ]
[ 103-19-5 ]
2-butyl-5-(p-tolylthio)thiophene [ No CAS ]
C₁₅H₁₈S₂ [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2015,vol. 54,p. 5772 - 5776
Angew. Chem.,2015,vol. 127,p. 5864 - 5868,5
Angewandte Chemie,2015,vol. 127,p. 5864 - 5868,5

9
[ 103-19-5 ]
[ 93107-30-3 ]
1-cyclopropyl-6,7-difluoro-3-(p-tolylthio)quinolin-4(1H)-one [ No CAS ]

Reference： [1]Chemistry - An Asian Journal,2016,vol. 11,p. 360 - 366

10
[ 56430-08-1 ]
[ 103-19-5 ]
1,5-dimethyl-2-(p-tolyl)-4-(p-tolylthio)-1,2-dihydro-3H-pyrazol-3-one [ No CAS ]

Reference： [1]Advanced Synthesis and Catalysis,2017,vol. 359,p. 966 - 973

11
[ 103-19-5 ]
[ 19832-98-5 ]
(4-methylnaphthalen-2-yl)(p-tolyl)sulfane [ No CAS ]

Reference： [1]Advanced Synthesis and Catalysis,2019,vol. 361,p. 2154 - 2158

12
[ 103-19-5 ]
[ 82101-34-6 ]
(4-(2-fluorophenyl)naphthalen-2-yl)(p-tolyl)sulfane [ No CAS ]

Reference： [1]Advanced Synthesis and Catalysis,2019,vol. 361,p. 2154 - 2158

Recommend Products

Same Skeleton Products

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Isomers

Technical Information

? Benzylic Oxidation ? Birch Reduction ? Blanc Chloromethylation ? Friedel-Crafts Reaction ? Hydride Reductions ? Hydrogenolysis of Benzyl Ether ? Nucleophilicity of Sulfur Compounds ? Oxidation States of Sulfur Compounds ? Preparation of Alkylbenzene ? Reactions of Benzene and Substituted Benzenes ? Vilsmeier-Haack Reaction

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Precautionary Statements-General
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P101	If medical advice is needed,have product container or label at hand.
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Code	Phrase
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P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
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P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
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P264	Wash hands thoroughly after handling.
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P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
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P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
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P306	IF ON CLOTHING:
P307	IF exposed:
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P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
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P320
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P321
P322
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P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
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P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
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H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
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H271	May cause fire or explosion; strong oxidizer
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Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
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H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
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H314	Causes severe skin burns and eye damage
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H316	Causes mild skin irritation
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H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
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H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
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H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
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[ CAS No. 103-19-5 ] {[proInfo.proName]}

Quality Control of [ 103-19-5 ]

Related Doc. of [ 103-19-5 ]

Product Citations

Product Details of [ 103-19-5 ]

Calculated chemistry of [ 103-19-5 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 103-19-5 ]

Application In Synthesis of [ 103-19-5 ]

[ 103-19-5 ] Synthesis Path-Upstream 1~1

[ 103-19-5 ] Synthesis Path-Downstream 1~12

Technical Information

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry