1-(2-Bromo-5-thiazolyl)ethanone - CAS 1161776-13-1

Name: 1-(2-Bromo-5-thiazolyl)ethanone
Brand: BOC Sciences
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Catalog:	BB003722
Product Name:	1-(2-Bromo-5-thiazolyl)ethanone
CAS:	1161776-13-1
Synonyms:	1-(2-bromo-5-thiazolyl)ethanone; 1-(2-bromo-1,3-thiazol-5-yl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(2-bromo-1,3-thiazol-5-yl)ethanone
Description:	1-(2-Bromo-5-thiazolyl)ethanone (CAS# 1161776-13-1) is a useful research chemical.
Molecular Weight:	206.06
Molecular Formula:	C5H4BrNOS
Canonical SMILES:	CC(=O)C1=CN=C(S1)Br
InChI:	InChI=1S/C5H4BrNOS/c1-3(8)4-2-7-5(6)9-4/h2H,1H3
InChI Key:	XGHAHIKODQEJTA-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.10820

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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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

Publication Number	Title	Priority Date
WO-2021133833-A1	Compositions for use in the inhibition of dihydroorotate dehydrogenase	20191226
WO-2021002473-A1	Nrf2-activating compound	20190703
CN-113347970-A	Compounds and compositions for treating conditions associated with NLRP activity	20181024
CN-111417622-A	Sulfonamides and compositions thereof for the treatment of conditions associated with N L RP activity	20171017
JP-2020537657-A	Sulfonamides and compositions thereof for treating pathologies associated with NLRP activity	20171017

Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.91970
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	204.91970
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2