2-Propene-1-sulfonyl Chloride - CAS 14418-84-9

Catalog:	BB009738
Product Name:	2-Propene-1-sulfonyl Chloride
CAS:	14418-84-9
Synonyms:	2-propene-1-sulfonyl chloride; prop-2-ene-1-sulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	prop-2-ene-1-sulfonyl chloride
Description:	2-Propene-1-sulfonyl Chloride (CAS# 14418-84-9) is a useful research chemical.
Molecular Weight:	140.59
Molecular Formula:	C3H5ClO2S
Canonical SMILES:	C=CCS(=O)(=O)Cl
InChI:	InChI=1S/C3H5ClO2S/c1-2-3-7(4,5)6/h2H,1,3H2
InChI Key:	AAHFRWRQQDVWPX-UHFFFAOYSA-N
Boiling Point:	175.4 °C at 760 mmHg
Density:	1.331 g/cm³
Appearance:	Liquid
MDL:	MFCD08059789
LogP:	1.82180

Publication Number	Title	Priority Date
CN-113214319-A	Quaternary phosphonium salt flame retardant and synthetic method and application thereof	20210430
WO-2021211808-A1	Compositions and methods to reduce the infectivity of a virus	20200416
WO-2021194326-A1	Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators	20200327
WO-2021194890-A1	Heparin and n-acetylcysteine for the treatment of a respiratory virus	20200323
CN-113004175-A	Preparation method of allyl sulfonyl chloride	20191219

PMID	Publication Date	Title	Journal
12164387	20011201	Carbonic anhydrase inhibitors: allylsulfonamide, styrene sulfonamide, N-allyl sulfonamides and some of their Si, Ge, and B derivatives	Journal of enzyme inhibition

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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:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.9698783
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	139.9698783
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1