4-Bromo-2-methylthiazole - CAS 298694-30-1

Catalog:	BB020353
Product Name:	4-Bromo-2-methylthiazole
CAS:	298694-30-1
Synonyms:	4-bromo-2-methylthiazole; 4-bromo-2-methyl-1,3-thiazole

Technical Data

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Patents

Computed Properties

IUPAC Name:	4-bromo-2-methyl-1,3-thiazole
Description:	4-Bromo-2-methylthiazole (CAS# 298694-30-1) is a useful research chemical.
Molecular Weight:	178.05
Molecular Formula:	C4H4BrNS
Canonical SMILES:	CC1=NC(=CS1)Br
InChI:	InChI=1S/C4H4BrNS/c1-3-6-4(5)2-7-3/h2H,1H3
InChI Key:	LYRXILTUZBBMNS-UHFFFAOYSA-N
Boiling Point:	199.2 °C at 760 mmHg
Density:	1.702 g/cm³
Appearance:	Liquid
LogP:	2.21400

Publication Number	Title	Priority Date
CN-113200939-A	Bis (1, 3-thiazole) amine and preparation method thereof	20210331
CN-113200977-A	N- (4-thiazolyl) -3-pyrazolamine and preparation method thereof	20210331
WO-2021191872-A1	Heteroaryl-substituted macrocyclic flu endonuclease inhibitors	20200326
WO-2021154902-A1	Collagen 1 translation inhibitors and methods of use thereof	20200130
WO-2021004940-A1	Novel galactoside inhibitor of galectins	20190705

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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, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	68.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.92478
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	176.92478
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4