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[ CAS No. 15205-66-0 ] {[proInfo.proName]}

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Chemical Structure| 15205-66-0
Chemical Structure| 15205-66-0
Structure of 15205-66-0 * Storage: {[proInfo.prStorage]}

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Product Details of [ 15205-66-0 ]

CAS No. :15205-66-0 MDL No. :MFCD00014747
Formula : C3H8O3S Boiling Point : No data available
Linear Structure Formula :- InChI Key :KFTYFTKODBWKOU-UHFFFAOYSA-N
M.W : 124.16 Pubchem ID :84834
Synonyms :

Calculated chemistry of [ 15205-66-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 26.66
TPSA : 62.75 ?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) : -7.82 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.73
Log Po/w (XLOGP3) : -1.08
Log Po/w (WLOGP) : 0.1
Log Po/w (MLOGP) : -0.96
Log Po/w (SILICOS-IT) : -0.53
Consensus Log Po/w : -0.35

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 0.2
Solubility : 198.0 mg/ml ; 1.59 mol/l
Class : Highly soluble
Log S (Ali) : 0.25
Solubility : 222.0 mg/ml ; 1.79 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -0.38
Solubility : 51.4 mg/ml ; 0.414 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.84

Safety of [ 15205-66-0 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
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