5-Bromothiazole-2-carboxylic Acid - CAS 957346-62-2

Catalog:	BB041836
Product Name:	5-Bromothiazole-2-carboxylic Acid
CAS:	957346-62-2
Synonyms:	5-bromo-2-thiazolecarboxylic acid; 5-bromo-1,3-thiazole-2-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-bromo-1,3-thiazole-2-carboxylic acid
Description:	5-Bromothiazole-2-carboxylic Acid (CAS# 957346-62-2) is a useful research chemical.
Molecular Weight:	208.03
Molecular Formula:	C4H2BrNO2S
Canonical SMILES:	C1=C(SC(=N1)C(=O)O)Br
InChI:	InChI=1S/C4H2BrNO2S/c5-2-1-6-3(9-2)4(7)8/h1H,(H,7,8)
InChI Key:	BQRYPTVDLJGHAU-UHFFFAOYSA-N
Boiling Point:	372.505 °C at 760 mmHg
Density:	2.063 g/cm³
Appearance:	Light yellow powder
LogP:	1.60380

Publication Number	Title	Priority Date
WO-2021007477-A1	Indazoles and azaindazoles as lrrk2 inhibitors	20190711
CN-111410653-A	Dihydroisoquinoline compound	20190108
WO-2020143604-A1	Dihydroisoquinoline compound	20190108
KR-20210111807-A	Dihydroisoquinoline compounds	20190108
US-2019382395-A1	Tyrosine Kinase Inhibitors	20180601

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P271, P304+P340, P312, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.89896
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	206.89896
Rotatable Bond Count:	1
Topological Polar Surface Area:	78.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8