Benzothiazole-4-sulfonyl Chloride - CAS 149575-65-5

Catalog:	BB010426
Product Name:	Benzothiazole-4-sulfonyl Chloride
CAS:	149575-65-5
Synonyms:	1,3-benzothiazole-4-sulfonyl chloride; 1,3-benzothiazole-4-sulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	1,3-benzothiazole-4-sulfonyl chloride
Description:	Benzothiazole-4-sulfonyl Chloride (CAS# 149575-65-5) is a compound useful in organic synthesis.
Molecular Weight:	233.70
Molecular Formula:	C7H4ClNO2S2
Canonical SMILES:	C1=CC2=C(C(=C1)S(=O)(=O)Cl)N=CS2
InChI:	InChI=1S/C7H4ClNO2S2/c8-13(10,11)6-3-1-2-5-7(6)9-4-12-5/h1-4H
InChI Key:	IAHKZUNYBBKBDO-UHFFFAOYSA-N
Boiling Point:	376.977 °C at 760 mmHg
Density:	1.635 g/cm³
LogP:	3.30460

Publication Number	Title	Priority Date
AU-2014231564-A1	Therapeutic compounds and compositions	20130315
AU-2014231564-A2	Therapeutic compounds and compositions	20130315
AU-2014231564-B2	Therapeutic compounds and compositions	20130315
CA-2903067-A1	Therapeutic compounds and compositions	20130315
EP-2970189-A1	Therapeutic compounds and compositions	20130315

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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:	287
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.9371984
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	232.9371984
Rotatable Bond Count:	1
Topological Polar Surface Area:	83.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4