2-Bromothiazole-5-carboxylic acid - CAS 54045-76-0

Catalog:	BB028471
Product Name:	2-Bromothiazole-5-carboxylic acid
CAS:	54045-76-0
Synonyms:	2-bromo-1,3-thiazole-5-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-1,3-thiazole-5-carboxylic acid
Description:	2-Bromothiazole-5-carboxylic acid (CAS# 54045-76-0) is used as a reagent to synthesize azole-based protein kinase B inhibitors, some of which have anti-cancer properties.
Molecular Weight:	208.03
Molecular Formula:	C4H2BrNO2S
Canonical SMILES:	C1=C(SC(=N1)Br)C(=O)O
InChI:	InChI=1S/C4H2BrNO2S/c5-4-6-1-2(9-4)3(7)8/h1H,(H,7,8)
InChI Key:	BESGTWHUMYHYEQ-UHFFFAOYSA-N
Boiling Point:	350 °C at 760 mmHg
Purity:	97 %
Density:	2.062 g/cm³
LogP:	1.60380

Publication Number	Title	Priority Date
WO-2021127643-A1	Fluoroalkyl-oxadiazoles and uses thereof	20191220
WO-2021117846-A1	Compound serving as pdgf receptor kinase inhibitor, and composition	20191213
WO-2021089683-A1	Inhibitors of adrenoreceptor adrac2	20191106
CN-110746511-A	Method for preparing modified starch for papermaking sizing agent from broken rice leftover in rice production	20191009
CN-110746511-B	Method for preparing modified starch for papermaking sizing agent from broken rice leftover in rice production	20191009

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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
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

Oxazole/Thiazole

[120740-06-9]
[(2-chloro-1,3-thiazol-5-yl)methyl](methyl)amine
[3973-08-8]
4-Thiazolecarboxylic acid
[16188-30-0]
4-Thiazolemethanamine
[262857-90-9]
(R)-4-(4-Aminobenzyl)-2-oxazolidinone
[117043-86-4]
4-(Aminomethyl)thiazole Hydrochloride
[1072145-33-5]
ERRα antagonist-1

GHS Hazard Statement:	H315 (15.22%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, 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