4-(4-Bromophenyl)-2-hydroxythiazole - CAS 3884-34-2

Catalog:	BB023774
Product Name:	4-(4-Bromophenyl)-2-hydroxythiazole
CAS:	3884-34-2
Synonyms:	4-(4-bromophenyl)-3H-1,3-thiazol-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-(4-bromophenyl)-3H-1,3-thiazol-2-one
Description:	4-(4-Bromophenyl)-2-hydroxythiazole (CAS# 3884-34-2) is a useful research chemical.
Molecular Weight:	256.12
Molecular Formula:	C9H6BrNOS
Canonical SMILES:	C1=CC(=CC=C1C2=CSC(=O)N2)Br
InChI:	InChI=1S/C9H6BrNOS/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
InChI Key:	DEOWCFMGCQNWDK-UHFFFAOYSA-N
Density:	1.68 g/cm³
Appearance:	White to tan powder, crystals, crystalline powder and/or chunks
MDL:	MFCD02250971
LogP:	3.27820

Publication Number	Title	Priority Date
AU-2016358242-A1	N-substituted indole derivatives as PGE2 receptor modulators	20151120
EP-3377483-A1	N-substituted indole derivatives as pge2 receptor modulators	20151120
WO-2017085198-A1	N-substituted indole derivatives as pge2 receptor modulators	20151120
CN-108349949-B	N-substituted indole derivatives as PGE2 receptor modulators	20151120
US-2020289507-A1	N-substituted indole derivatives as pge2 receptor modulators	20151120

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Related Functional Groups

Oxazole/Thiazole

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1401934-53-9]
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[16188-30-0]
4-Thiazolemethanamine
[852227-91-9]
N-Methyl-5-phenyl-3-isoxazolemethanamine hydrochloride
[885681-46-9]
Ethyl [2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate
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Ethyl 2-(2-chloroacetamido)-4-thiazoleacetate

GHS Hazard Statement:	H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	254.93535
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	254.93535
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6