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2-Chloro-1,3-thiazole-5-sulfonyl Chloride

2-Chloro-1,3-thiazole-5-sulfonyl Chloride - CAS 88917-11-7

Catalog:	BB039284
Product Name:	2-Chloro-1,3-thiazole-5-sulfonyl Chloride
CAS:	88917-11-7
Synonyms:	2-chloro-5-thiazolesulfonyl chloride; 2-chloro-1,3-thiazole-5-sulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-1,3-thiazole-5-sulfonyl chloride
Description:	2-Chloro-1,3-thiazole-5-sulfonyl Chloride (CAS# 88917-11-7) is a useful research chemical.
Molecular Weight:	218.08
Molecular Formula:	C3HCl2NO2S2
Canonical SMILES:	C1=C(SC(=N1)Cl)S(=O)(=O)Cl
InChI:	InChI=1S/C3HCl2NO2S2/c4-3-6-1-2(9-3)10(5,7)8/h1H
InChI Key:	QQXPCBIWAJSOPB-UHFFFAOYSA-N
MDL:	MFCD09742125
LogP:	2.80480

Publication Number	Title	Priority Date
WO-2020117972-A1	Therapeutics targeting mutant adenomatous polyposis coli (apc) for the treatment of cancer	20181204
EP-3890715-A1	Therapeutics targeting mutant adenomatous polyposis coli (apc) for the treatment of cancer	20181204
WO-2012069428-A1	Bipyridine sulfonamide derivatives for the treatment of neurodegenerative diseases or conditions	20101122
US-2013237535-A1	Fatty acid synthase inhibitors	20101108
WO-2012064642-A1	Fatty acid synthase inhibitors	20101108

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[85-47-2]
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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.8825760
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	216.8825760
Rotatable Bond Count:	1
Topological Polar Surface Area:	83.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3