5-Bromothiazole-4-carboxylic Acid - CAS 103878-58-6

Catalog:	BB001251
Product Name:	5-Bromothiazole-4-carboxylic Acid
CAS:	103878-58-6
Synonyms:	5-bromo-4-thiazolecarboxylic acid; 5-bromo-1,3-thiazole-4-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-bromo-1,3-thiazole-4-carboxylic acid
Description:	5-Bromothiazole-4-carboxylic Acid (CAS# 103878-58-6) is a useful research chemical.
Molecular Weight:	208.03
Molecular Formula:	C4H2BrNO2S
Canonical SMILES:	C1=NC(=C(S1)Br)C(=O)O
InChI:	InChI=1S/C4H2BrNO2S/c5-3-2(4(7)8)6-1-9-3/h1H,(H,7,8)
InChI Key:	AZYQIQWMHMYDPO-UHFFFAOYSA-N
Boiling Point:	367.7 °C at 760 mmHg
Density:	2.062 g/cm³
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD08275714
LogP:	1.60380

Publication Number	Title	Priority Date
US-2021300912-A1	Aryl hydrocarbon receptor (ahr) agonists and uses thereof	20191220
WO-2021127302-A1	2-(1h-indole-3-carbonyl)-thiazole-4-carboxamide derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders	20191220
WO-2020219729-A1	Papd5 inhibitors and methods of use thereof	20190424
CN-107849035-A	A kind of phenyl heterocycles derivative and its purposes in medicine	20151229
WO-2017046603-A1	Antibacterial compounds and new uses thereof	20150918

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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
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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