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[ CAS No. 79-84-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 79-84-5
Chemical Structure| 79-84-5
Structure of 79-84-5 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 79-84-5 ]

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Product Details of [ 79-84-5 ]

CAS No. :79-84-5 MDL No. :MFCD11870146
Formula : C4H4O3S2 Boiling Point : -
Linear Structure Formula :- InChI Key :BSXLLFUSNQCWJP-UHFFFAOYSA-N
M.W : 164.20 Pubchem ID :165170
Synonyms :

Calculated chemistry of [ 79-84-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 34.18
TPSA : 90.99 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.38 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.58
Log Po/w (XLOGP3) : -0.11
Log Po/w (WLOGP) : 2.08
Log Po/w (MLOGP) : -0.04
Log Po/w (SILICOS-IT) : 1.05
Consensus Log Po/w : 0.71

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -1.13
Solubility : 12.1 mg/ml ; 0.0735 mol/l
Class : Very soluble
Log S (Ali) : -1.35
Solubility : 7.37 mg/ml ; 0.0449 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.01
Solubility : 16.1 mg/ml ; 0.0982 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.73

Safety of [ 79-84-5 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:3261
Hazard Statements:H314 Packing Group:
GHS Pictogram:
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