成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

Home Cart 0 Sign in  

[ CAS No. 2986-17-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2986-17-6
Chemical Structure| 2986-17-6
Structure of 2986-17-6 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 2986-17-6 ]

Related Doc. of [ 2986-17-6 ]

Alternatived Products of [ 2986-17-6 ]
Product Citations

Product Details of [ 2986-17-6 ]

CAS No. :2986-17-6 MDL No. :MFCD00040485
Formula : C7H16N2S Boiling Point : -
Linear Structure Formula :- InChI Key :KREOCUNMMFZOOS-UHFFFAOYSA-N
M.W : 160.28 Pubchem ID :2758386
Synonyms :
Chemical Name :1,3-Diisopropylthiourea

Calculated chemistry of [ 2986-17-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.86
Num. rotatable bonds : 4
Num. H-bond acceptors : 0.0
Num. H-bond donors : 2.0
Molar Refractivity : 49.16
TPSA : 56.15 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.16 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.37
Log Po/w (XLOGP3) : 1.57
Log Po/w (WLOGP) : 1.27
Log Po/w (MLOGP) : 1.22
Log Po/w (SILICOS-IT) : 1.6
Consensus Log Po/w : 1.61

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.56
Solubility : 4.43 mg/ml ; 0.0276 mol/l
Class : Very soluble
Log S (Ali) : -2.36
Solubility : 0.7 mg/ml ; 0.00437 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.77
Solubility : 2.72 mg/ml ; 0.017 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.81

Safety of [ 2986-17-6 ]

Signal Word:Warning Class:
Precautionary Statements:P301+P312+P330 UN#:
Hazard Statements:H302 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 2986-17-6 ]

* 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.

  • Downstream synthetic route of [ 2986-17-6 ]

[ 2986-17-6 ] Synthesis Path-Downstream   1~15

  • 1
  • [ 5694-65-5 ]
  • [ 2986-17-6 ]
  • <i>S</i>-(2-dicyanacetoxy-ethyl)-<i>N</i>,<i>N</i>'-diisopropyl-isothiourea [ No CAS ]
  • 2
  • [ 79-03-8 ]
  • [ 2986-17-6 ]
  • [ 99849-69-1 ]
  • 3
  • [ 75-15-0 ]
  • [ 75-31-0 ]
  • [ 2986-17-6 ]
YieldReaction ConditionsOperation in experiment
97% In water; at 20℃; for 0.166667h;Green chemistry; General procedure: To a 50 mL round bottom flask equipped with a magnetic stirrer, add carbon disulphide (5 mmol) andamine (10 mmol) in ice cold condition followed by addition of water (5 mL). Cork the flask. Thereaction mixture was stirred vigorously at room temperature. The progress of the reaction was checkedby TLC (10percent MeOH: chloroform or EtOAc: hexane). After completion of reaction, solid was obtainedby removal of water under reduced pressure on rotary evaporator while in some cases (Entry 7, 9, 10,11 and 14, 15) the reaction mixture solidified when the reaction on completion. The obtained solidproduct was recrystallized with ethanol or washing with mixture EtOAc: hexane.
97% In water; at 20℃; for 0.166667h;Green chemistry; General procedure: To a 50 mL round bottom flask equipped with a magnetic stirrer, add carbon disulphide (5 mmol) and amine (10 mmol) in ice cold condition followed by addition of water (5 mL). Cork the flask. The reaction mixture was stirred vigorously at room temperature. The progress of the reaction was checked by TLC (10percent MeOH: chloroform or EtOAc: hexane). After completion of reaction, solid was obtained by removal of water under reduced pressure on rotary evaporator while in some cases (Entry 7, 9, 10, 11 and 14, 15) the reaction mixture solidified when the reaction on completion. The obtained solid product was recrystallized with ethanol or washing with mixture EtOAc : hexane.
In toluene; at 35℃; for 1.0h;Large scale; The first 140 kg isopropylamine and 400 kg toluene into reactor and, start the stirring, dropping 70 kg carbon disulfide, temperature control in the 35 °C following, thermal insulation reaction 1 hours, at the same time for 30percent of the mass fraction of the sodium hydroxide solution to absorb the reaction produced in the process of hydrogen sulfide gas, generating sodium sulfide solution for secondary oxidation of the desulfurization reaction; cooling, filtration, and dried to obtain the N, N' - diisopropyl thiourea.
  • 4
  • [ 75-15-0 ]
  • [ 75-31-0 ]
  • [ 2253-73-8 ]
  • [ 2986-17-6 ]
  • 5
  • [ 2253-73-8 ]
  • [ 75-31-0 ]
  • [ 2986-17-6 ]
  • 6
  • [ 75-36-5 ]
  • [ 2986-17-6 ]
  • [ 14041-88-4 ]
  • 7
  • [ 141-75-3 ]
  • [ 2986-17-6 ]
  • [ 99993-89-2 ]
  • 8
  • [ 628-21-7 ]
  • [ 2986-17-6 ]
  • <i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-tetraisopropyl-<i>S,S'</i>-butanediyl-bis-isothiourea [ No CAS ]
  • 9
  • [ 629-03-8 ]
  • [ 2986-17-6 ]
  • 1,6-bis-(<i>N,N'</i>-diisopropyl-carbamimidoylmercapto)-hexane [ No CAS ]
  • 10
  • [ 19218-94-1 ]
  • [ 2986-17-6 ]
  • <i>N</i>,<i>N</i>'-diisopropyl-<i>S</i>-tetradecyl-isothiourea; hydriodide [ No CAS ]
  • 11
  • [ 2986-17-6 ]
  • [ 108-12-3 ]
  • [ 100396-44-9 ]
  • 12
  • [ 2986-17-6 ]
  • [ 112-82-3 ]
  • <i>S</i>-hexadecyl-<i>N</i>,<i>N</i>'-diisopropyl-isothiourea; hydrobromide [ No CAS ]
  • 13
  • [ 2986-17-6 ]
  • [ 74-88-4 ]
  • [ 108372-20-9 ]
  • 15
  • [ 2986-17-6 ]
  • [ 693-13-0 ]
YieldReaction ConditionsOperation in experiment
99% With cyclopentadienyl iron(II) dicarbonyl dimer; In tetrahydrofuran; at 60℃; for 24.0h;Inert atmosphere; To the reaction vessel, 0.3 mmol of the thiourea compound shown in Table 3, 0.9 mmol of [CpFe (CO) 2] 2 as in Example 1-2 as an iron compound and 9 mL of tetrahydrofuran were added and the mixture was stirred at 60 ° C. under a nitrogen atmosphere And allowed to react for 24 hours. However, only in Example 3-9, each charged amount was multiplied by 100/3 and carried out.After completion of the reaction, the resulting reaction solution was analyzed with a gas chromatograph mass spectrometer (GC-MS), and it was found that the product shown in Table 3 was produced at the yield shown in Table 3.The reaction solutions obtained in Examples 3-1 to 3-9 were cooled to room temperature, water was added, and the product was extracted with ethyl acetate. Subsequently, the organic layer was washed successively with water and saturated brine, dried over anhydrous magnesium sulfate, then filtered and concentrated to obtain a crude product, and the crude product was used in Examples 3-1 to 3-8, silica gel (Developing solvent: ethyl acetate / hexane (mixing ratio was appropriately adjusted)), and purified by distillation in Example 3-9 to obtain the respective products
93% With sodium chlorate; N-benzyl-N,N,N-triethylammonium chloride; In water; benzene; at 55 - 70℃; for 4.0h;Large scale; Will be 100 kg N, N ' - diisopropyl thiourea, 400 kg benzene is added to the other in a reaction kettle, plus 5 kg piece of alkali, 15 kg catalyst polyethylene glycol, the kettle temperature rises to 60 °C, dropwise 600 kg sodium hypochlorite, temperature control in the 55 - 65 °C between, reaction 2 hours, standing 20 minutes, discarding lower aqueous phase; filtering the aqueous phase after the next time for preparation of oxidizing liquid, do not discharge.The primary oxidation end of oxidizing liquid into the other in a kettle, add 2 kg catalyst, dropping 100 L sodium hypochlorite, temperature control in the 65 °C the left and the right, reaction 1 hours.Added in the reaction kettle 150 L of sodium sulfide solution, heating up to 70 °C, reaction 1 hours.Adding alkali to 5 kg, water 300 kg, stirring for half an hour, standing 20 minutes, eliminating water layer, adding 10 kg potassium carbonate drying, evaporating the solvent, pressure reducing and get the N, N' - diisopropyl carbodiimide. Yield 93percent, purity 99.5percent or more.
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 2986-17-6 ]

Aliphatic Chain Hydrocarbons

Chemical Structure| 598-52-7

[ 598-52-7 ]

N-Methylthiourea

Similarity: 0.57

Chemical Structure| 2782-91-4

[ 2782-91-4 ]

Tetramethylthiourea

Similarity: 0.54

Amides

Chemical Structure| 30086-64-7

[ 30086-64-7 ]

Hexahydro-1H-benzo[d]imidazole-2(3H)-thione

Similarity: 0.66

Chemical Structure| 1013-92-9

[ 1013-92-9 ]

Di(piperidin-1-yl)methanethione

Similarity: 0.59

Chemical Structure| 598-52-7

[ 598-52-7 ]

N-Methylthiourea

Similarity: 0.57

Chemical Structure| 2782-91-4

[ 2782-91-4 ]

Tetramethylthiourea

Similarity: 0.54

Chemical Structure| 638-16-4

[ 638-16-4 ]

Trithiocyanuric acid

Similarity: 0.52

Amines

Chemical Structure| 598-52-7

[ 598-52-7 ]

N-Methylthiourea

Similarity: 0.57

Chemical Structure| 2782-91-4

[ 2782-91-4 ]

Tetramethylthiourea

Similarity: 0.54

Chemical Structure| 102-08-9

[ 102-08-9 ]

N,N'-Diphenylthiourea

Similarity: 0.51

Thioureas

Chemical Structure| 1013-92-9

[ 1013-92-9 ]

Di(piperidin-1-yl)methanethione

Similarity: 0.59

Chemical Structure| 598-52-7

[ 598-52-7 ]

N-Methylthiourea

Similarity: 0.57

Chemical Structure| 2782-91-4

[ 2782-91-4 ]

Tetramethylthiourea

Similarity: 0.54

Chemical Structure| 102-08-9

[ 102-08-9 ]

N,N'-Diphenylthiourea

Similarity: 0.51

; ;