2-Bromo-5-chlorothiazole - CAS 16629-15-5

Catalog:	BB012260
Product Name:	2-Bromo-5-chlorothiazole
CAS:	16629-15-5
Synonyms:	2-bromo-5-chlorothiazole; 2-bromo-5-chloro-1,3-thiazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-5-chloro-1,3-thiazole
Description:	2-Bromo-5-chlorothiazole (CAS# 16629-15-5) is a useful research chemical.
Molecular Weight:	198.47
Molecular Formula:	C3HBrClNS
Canonical SMILES:	C1=C(SC(=N1)Br)Cl
InChI:	InChI=1S/C3HBrClNS/c4-3-6-1-2(5)7-3/h1H
InChI Key:	FYKOEXGDJNPHQV-UHFFFAOYSA-N
Boiling Point:	216.7 °C at 760 mmHg
Density:	1.979 g/cm³
MDL:	MFCD09909626
LogP:	2.55900

Publication Number	Title	Priority Date
WO-2021094504-A1	Herbicidal thiazole compounds	20191115
AU-2017342464-A1	TYK2 inhibitors and uses thereof	20161014
CA-3039202-A1	Tyk2 inhibitors and uses thereof	20161014
EP-3526222-A1	Tyk2 inhibitors and uses thereof	20161014
JP-2019535807-A	TYK2 inhibitors and uses thereof	20161014

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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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	72
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.87016
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.87016
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9