Propane-1-sulfonyl chloride

Name: Propane-1-sulfonyl chloride
SKU: PI10147361
Rating: 5 (1 reviews)

Catalog NumberPI10147361

CAS Number10147-36-1

CategoryAntineoplastics Intermediates

Product Details

Purity	97%
Molecular Formula	C3H7ClO2S
Linear Formula	CH3CH2CH2SO2Cl
Molecular Weight	142.60
Molar Refractivity	30.29

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Other Identifiers

Pubchem ID	66279
InChI Key	KPBSJEBFALFJTO-UHFFFAOYSA-N
MDL Number	MFCD00007462

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	1.14
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	1.0
Ghose	None
GI Absorption	High
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.26 cm/s
Log Po/w (iLOGP)	1.39
Log Po/w (MLOGP)	0.38
Log Po/w (SILICOS-IT)	0.59
Log Po/w (WLOGP)	2.05
Log Po/w (XLOGP3)	1.28
Muegge	2.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	2
Synthetic Accessibility	2.35
Topological Polar Surface Area	42.52 Å²
Veber	0.0

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