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Methyl 2-Amino-5-bromothiazole-4-carboxylate

Methyl 2-Amino-5-bromothiazole-4-carboxylate - CAS 850429-60-6

Catalog:	BB037426
Product Name:	Methyl 2-Amino-5-bromothiazole-4-carboxylate
CAS:	850429-60-6
Synonyms:	2-amino-5-bromo-4-thiazolecarboxylic acid methyl ester; methyl 2-amino-5-bromo-1,3-thiazole-4-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2-amino-5-bromo-1,3-thiazole-4-carboxylate
Description:	Methyl 2-Amino-5-bromothiazole-4-carboxylate (CAS# 850429-60-6) is a useful research chemical.
Molecular Weight:	237.07
Molecular Formula:	C5H5BrN2O2S
Canonical SMILES:	COC(=O)C1=C(SC(=N1)N)Br
InChI:	InChI=1S/C5H5BrN2O2S/c1-10-4(9)2-3(6)11-5(7)8-2/h1H3,(H2,7,8)
InChI Key:	KVUHCAXYWHQFLW-UHFFFAOYSA-N
Boiling Point:	349.3 °C at 760 mmHg
Density:	1.844 g/cm³
LogP:	1.85560

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
CN-111630052-A	Dihydroindazinone derivatives	20180118
EP-3741757-A1	Dihydroindolizinone derivative	20180118
IL-276125-D0	Compounds derived from dihydroindolizinone, preparations containing them and their uses	20180118

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	235.92551
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	235.92551
Rotatable Bond Count:	2
Topological Polar Surface Area:	93.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8