3-Butene-1-sulfonyl Chloride - CAS 33994-36-4

Catalog:	BB021923
Product Name:	3-Butene-1-sulfonyl Chloride
CAS:	33994-36-4
Synonyms:	3-butene-1-sulfonyl chloride; but-3-ene-1-sulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	but-3-ene-1-sulfonyl chloride
Description:	3-Butene-1-sulfonyl Chloride (CAS# 33994-36-4) is a useful research chemical.
Molecular Weight:	154.62
Molecular Formula:	C4H7ClO2S
Canonical SMILES:	C=CCCS(=O)(=O)Cl
InChI:	InChI=1S/C4H7ClO2S/c1-2-3-4-8(5,6)7/h2H,1,3-4H2
InChI Key:	FMLFRGLMOUTPLQ-UHFFFAOYSA-N
LogP:	2.21190

Publication Number	Title	Priority Date
CN-110603252-A	Aryl, heteroaryl and heterocyclic pharmaceutical compounds for the treatment of medical disorders	20170301
EP-3589628-A1	Aryl, heteroary, and heterocyclic pharmaceutical compounds for treatment of medical disorders	20170301
JP-2020514331-A	Aryl, heteroaryl and heterocyclic pharmaceutical compounds for the treatment of medical disorders	20170301
US-2020071301-A1	Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders	20170301
WO-2018160889-A1	Aryl, heteroary, and heterocyclic pharmaceutical compounds for treatment of medical disorders	20170301

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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:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.9855283
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	153.9855283
Rotatable Bond Count:	3
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5