2-(Chloromethyl)benzothiazole - CAS 37859-43-1

Catalog:	BB023449
Product Name:	2-(Chloromethyl)benzothiazole
CAS:	37859-43-1
Synonyms:	2-(chloromethyl)-1,3-benzothiazole; 2-(chloromethyl)-1,3-benzothiazole

Technical Data

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Computed Properties

IUPAC Name:	2-(chloromethyl)-1,3-benzothiazole
Description:	2-(Chloromethyl)benzothiazole (CAS# 37859-43-1) is a useful research chemical.
Molecular Weight:	183.66
Molecular Formula:	C8H6ClNS
Canonical SMILES:	C1=CC=C2C(=C1)N=C(S2)CCl
InChI:	InChI=1S/C8H6ClNS/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2
InChI Key:	SERUZNHRWBXDOX-UHFFFAOYSA-N
Boiling Point:	274 °C at 760 mmHg
Density:	1.371 g/cm³
MDL:	MFCD05664944
LogP:	3.03510

Publication Number	Title	Priority Date
CN-111362885-A	Benzothiazole ring substituted aminophenol oxygen radical zinc complex and preparation method and application thereof	20200306
WO-2020146822-A1	Leukotriene synthesis inhibitors	20190111
CN-108774194-A	A kind of preparation method of 2- [(2-[4-morpholinodithio methyl) sulfenyl] -6- ethoxyl benzo thiazoles and its intermediate	20180723
EP-3315495-A1	N,n' -diarylurea, n,n' -diarylthiourea and n,n' -diarylguanidino compounds for use in treatment and prevention of inflammatory disease	20161025
WO-2018077898-A1	N,n'-diarylurea, n,n'-diarylthiourea and n,n'-diarylguanidino compounds for use in treatment and prevention of inflammatory disease	20161025

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.9909481
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.9909481
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3