5-Bromo-2-(trifluoromethyl)thiazole - CAS 1209458-88-7

Catalog:	BB005002
Product Name:	5-Bromo-2-(trifluoromethyl)thiazole
CAS:	1209458-88-7
Synonyms:	5-bromo-2-(trifluoromethyl)thiazole; 5-bromo-2-(trifluoromethyl)-1,3-thiazole

Technical Data

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Patents

Computed Properties

IUPAC Name:	5-bromo-2-(trifluoromethyl)-1,3-thiazole
Description:	5-Bromo-2-(trifluoromethyl)thiazole (CAS# 1209458-88-7) is a useful research chemical.
Molecular Weight:	232.02
Molecular Formula:	C4HBrF3NS
Canonical SMILES:	C1=C(SC(=N1)C(F)(F)F)Br
InChI:	InChI=1S/C4HBrF3NS/c5-2-1-9-3(10-2)4(6,7)8/h1H
InChI Key:	BEFIZUOVAXMSPV-UHFFFAOYSA-N
LogP:	2.92440

Publication Number	Title	Priority Date
AU-2017340602-A1	Substituted 1H-imidazo[4,5-b]pyridin-2(3H)-ones and their use as GluN2B receptor modulators	20161006
EP-3523311-A1	Substituted 1h-imidazo[4,5-b]pyridin-2(3h)-ones and their use as glun2b receptor modulators	20161006
JP-2019530695-A	Substituted 1H-imidazo [4,5-b] pyridin-2 (3H) -ones and their use as GLUN2B receptor modulators	20161006
KR-20190056435-A	Substituted 1H-imidazo [4,5-b] pyridin-2 (3H) -one and its use as a GLUN2B receptor modulator	20161006
TW-201819376-A	Substituted 1H-imidazo[4,5-b]pyridine-2(3H)-one and its use as a GLUN2B receptor modulator	20161006

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Related Functional Groups

Oxazole/Thiazole

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GHS Hazard Statement:	H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.89652
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	230.89652
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9