2-Amino-4-(4-bromophenyl)thiazole - CAS 2103-94-8

Catalog:	BB016556
Product Name:	2-Amino-4-(4-bromophenyl)thiazole
CAS:	2103-94-8
Synonyms:	4-(4-bromophenyl)-1,3-thiazol-2-amine

Technical Data

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Computed Properties

IUPAC Name:	4-(4-bromophenyl)-1,3-thiazol-2-amine
Description:	2-Amino-4-(4-bromophenyl)thiazole (CAS# 2103-94-8) is a useful research chemical.
Molecular Weight:	255.13
Molecular Formula:	C9H7BrN2S
Canonical SMILES:	C1=CC(=CC=C1C2=CSC(=N2)N)Br
InChI:	InChI=1S/C9H7BrN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
InChI Key:	ZBRNKOLWXWMLTA-UHFFFAOYSA-N
Boiling Point:	410.9 °C at 760 mmHg
Melting Point:	227-230 °C
Purity:	98 %
Density:	1.636 g/cm³
Appearance:	Beige to yellow powder
MDL:	MFCD00051953
LogP:	3.73600

Publication Number	Title	Priority Date
WO-2020200209-A1	Aromatic amine compound and use thereof in preparation of ar and brd4 dual inhibitors and regulators	20190402
EP-3556755-A1	Substituted aminothiazoles as inhibitors of nucleases	20180417
EP-3556756-A1	Substituted propanamides as inhibitors of nucleases	20180417
WO-2019201865-A1	Substituted aminothiazoles as inhibitors of nucleases	20180417
WO-2019201867-A1	Substituted propanamides as inhibitors of nucleases	20180417

PMID	Publication Date	Title	Journal
8629814	19951101	Herpes simplex type1:lacZ recombinant viruses. II. Microtiter plate-based colorimetric assays for the discovery of new antiherpes agents and the points at which such agents disrupt the viral replication cycle	Antiviral research

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.95133
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	253.95133
Rotatable Bond Count:	1
Topological Polar Surface Area:	67.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3