Methyl 4-Bromo-1,3-thiazole-2-carboxylate - CAS 1025468-06-7

Catalog:	BB000885
Product Name:	Methyl 4-Bromo-1,3-thiazole-2-carboxylate
CAS:	1025468-06-7
Synonyms:	4-bromo-2-thiazolecarboxylic acid methyl ester; methyl 4-bromo-1,3-thiazole-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 4-bromo-1,3-thiazole-2-carboxylate
Description:	Methyl 4-Bromo-1,3-thiazole-2-carboxylate (CAS# 1025468-06-7) is a useful research chemical.
Molecular Weight:	222.06
Molecular Formula:	C5H4BrNO2S
Canonical SMILES:	COC(=O)C1=NC(=CS1)Br
InChI:	InChI=1S/C5H4BrNO2S/c1-9-5(8)4-7-3(6)2-10-4/h2H,1H3
InChI Key:	PVBDGICQWHWHGK-UHFFFAOYSA-N
Appearance:	White to yellow solid
LogP:	1.69220

Publication Number	Title	Priority Date
CN-112939829-A	Synthetic method of aryl trifluoromethyl thioether	20210304
WO-2021032935-A1	Enzyme inhibitors	20190821
WO-2021032938-A1	Enzyme inhibitors	20190821
TW-201908306-A	Heterocyclic compounds as ASK inhibitors and their applications	20170718
WO-2019015559-A1	HETEROCYCLIC COMPOUND AS ASK INHIBITOR AND USE THEREOF	20170718

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[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
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[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

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.91461
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	220.91461
Rotatable Bond Count:	2
Topological Polar Surface Area:	67.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2