5-Bromo-2-methylthiazole - CAS 57268-16-3

Catalog:	BB029623
Product Name:	5-Bromo-2-methylthiazole
CAS:	57268-16-3
Synonyms:	5-bromo-2-methylthiazole; 5-bromo-2-methyl-1,3-thiazole

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2-methyl-1,3-thiazole
Description:	5-Bromo-2-methylthiazole (CAS# 57268-16-3) is a useful research chemical.
Molecular Weight:	178.05
Molecular Formula:	C4H4BrNS
Canonical SMILES:	CC1=NC=C(S1)Br
InChI:	InChI=1S/C4H4BrNS/c1-3-6-2-4(5)7-3/h2H,1H3
InChI Key:	HMVGGGOWCWNMNY-UHFFFAOYSA-N
Boiling Point:	199.2 °C at 760 mmHg
Density:	1.702 g/cm³
MDL:	MFCD09879074
LogP:	2.21400

Publication Number	Title	Priority Date
KR-102178181-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
KR-20200076655-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
WO-2020163647-A1	Methods and compositions for modulating splicing	20190206
CN-111410653-A	Dihydroisoquinoline compound	20190108
WO-2020143604-A1	Dihydroisoquinoline compound	20190108

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Related Functional Groups

Oxazole/Thiazole

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GHS Hazard Statement:	H302 (66.67%): 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:	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