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[ CAS No. 59801-62-6 ] {[proInfo.proName]}

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Chemical Structure| 59801-62-6
Chemical Structure| 59801-62-6
Structure of 59801-62-6 * Storage: {[proInfo.prStorage]}

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Product Details of [ 59801-62-6 ]

CAS No. :59801-62-6 MDL No. :MFCD06738995
Formula : C4H10ClNO2S Boiling Point : -
Linear Structure Formula :- InChI Key :UOMTVKMKHZMFMQ-UHFFFAOYSA-N
M.W : 171.65 Pubchem ID :12324096
Synonyms :

Calculated chemistry of [ 59801-62-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 41.87
TPSA : 54.55 ?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) : -7.52 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -0.25
Log Po/w (WLOGP) : 0.51
Log Po/w (MLOGP) : -0.48
Log Po/w (SILICOS-IT) : 0.41
Consensus Log Po/w : 0.04

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.75
Solubility : 30.8 mg/ml ; 0.179 mol/l
Class : Very soluble
Log S (Ali) : -0.44
Solubility : 62.7 mg/ml ; 0.365 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.93
Solubility : 20.0 mg/ml ; 0.116 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.01

Safety of [ 59801-62-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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