(oxolan-3-yl)methanesulfonyl chloride - CAS 242459-48-9

Catalog:	BB018386
Product Name:	(oxolan-3-yl)methanesulfonyl chloride
CAS:	242459-48-9
Synonyms:	3-oxolanylmethanesulfonyl chloride; oxolan-3-ylmethanesulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	oxolan-3-ylmethanesulfonyl chloride
Description:	(oxolan-3-yl)methanesulfonyl chloride (CAS# 242459-48-9) is a reagent used in pharmaceutical synthesis. Used in the preparation of cryprochrome modulators.
Molecular Weight:	184.634
Molecular Formula:	C5H9ClO3S
Canonical SMILES:	C1COCC1CS(=O)(=O)Cl
InChI:	InChI=1S/C5H9ClO3S/c6-10(7,8)4-5-1-2-9-3-5/h5H,1-4H2
InChI Key:	AYWFXFIKZGWGBF-UHFFFAOYSA-N
LogP:	1.67230

Publication Number	Title	Priority Date
WO-2019199864-A1	Tri-substituted aryl and heteroaryl derivatives as modulators of pi3-kinase and autophagy pathways	20180410
AU-2019251360-A1	Tri-substituted aryl and heteroaryl derivatives as modulators of PI3-kinase and autophagy pathways	20180410
CN-112189012-A	Trisubstituted aryl and heteroaryl derivatives as modulators of PI3 kinase and autophagy pathways	20180410
EP-3774783-A1	Tri-substituted aryl and heteroaryl derivatives as modulators of pi3-kinase and autophagy pathways	20180410
JP-2021521178-A	Trisubstituted aryl and heteroaryl derivatives as regulators of PI3 kinase and autophagy pathway	20180410

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Related Functional Groups

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.9960930
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	183.9960930
Rotatable Bond Count:	2
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6