5-Bromo-2-chlorothiazole - CAS 3034-56-8

Catalog:	BB020566
Product Name:	5-Bromo-2-chlorothiazole
CAS:	3034-56-8
Synonyms:	5-bromo-2-chloro-1,3-thiazole

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2-chloro-1,3-thiazole
Description:	5-Bromo-2-chlorothiazole (CAS# 3034-56-8) is a useful research chemical.
Molecular Weight:	198.47
Molecular Formula:	C3HBrClNS
Canonical SMILES:	C1=C(SC(=N1)Cl)Br
InChI:	InChI=1S/C3HBrClNS/c4-2-1-6-3(5)7-2/h1H
InChI Key:	DKJFZOGJTDCZQU-UHFFFAOYSA-N
Purity:	96 %
MDL:	MFCD14702782
LogP:	2.55900

Publication Number	Title	Priority Date
TW-201833087-A	1,3-substituted pyrazole compounds useful for reduction of very long chain fatty acid levels	20161209
US-2018251431-A1	1,3-substituted pyrazole compounds useful for reduction of very long chain fatty acid levels	20161209
WO-2018107056-A1	1,3-substitued pyrazole compounds useful for reduction of very long chain fatty acic levels	20161209
CA-2926830-A1	Thiazolopyrimidinones as modulators of nmda receptor activity	20131011
DK-3055315-T3	Thiazolopyrimidinones as modulators of NMDA receptor activity	20131011

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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:	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