5-Bromo-2-(chloromethyl)thiazole - CAS 50398-74-8

Catalog:	BB027038
Product Name:	5-Bromo-2-(chloromethyl)thiazole
CAS:	50398-74-8
Synonyms:	5-bromo-2-(chloromethyl)thiazole; 5-bromo-2-(chloromethyl)-1,3-thiazole

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2-(chloromethyl)-1,3-thiazole
Description:	5-Bromo-2-(chloromethyl)thiazole (CAS# 50398-74-8) is a useful research chemical.
Molecular Weight:	212.50
Molecular Formula:	C4H3BrClNS
Canonical SMILES:	C1=C(SC(=N1)CCl)Br
InChI:	InChI=1S/C4H3BrClNS/c5-3-2-7-4(1-6)8-3/h2H,1H2
InChI Key:	OEWLMHYIBRHMBK-UHFFFAOYSA-N
LogP:	2.64440

Publication Number	Title	Priority Date
CA-2796967-C	Heterocyclic derivatives as alk inhibitors	20100504
EP-2566858-A2	Heterocyclic derivatives as alk inhibitors	20100504
JP-2013525476-A	Heterocyclic derivatives as ALK inhibitors	20100504
US-2013196952-A1	Heterocyclic derivatives for the treatment of diseases	20100504
US-8916593-B2	Alkoxy-substituted 2-aminopyridines as ALK inhibitors	20100504

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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:	82.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.88581
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	210.88581
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4