2-Amino-5-bromothiazole monohydrobromide - CAS 61296-22-8

Catalog:	BB031046
Product Name:	2-Amino-5-bromothiazole monohydrobromide
CAS:	61296-22-8
Synonyms:	5-bromo-1,3-thiazol-2-amine;hydrobromide

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-1,3-thiazol-2-amine;hydrobromide
Description:	2-Amino-5-bromothiazole monohydrobromide (CAS# 61296-22-8) is a useful research chemical.
Molecular Weight:	259.95
Molecular Formula:	C3H3BrN2S · HBr
Canonical SMILES:	C1=C(SC(=N1)N)Br.Br
InChI:	InChI=1S/C3H3BrN2S.BrH/c4-2-1-6-3(5)7-2;/h1H,(H2,5,6);1H
InChI Key:	NUSVDASTCPBUIP-UHFFFAOYSA-N
Boiling Point:	192.5 °C at 760 mmHg
Purity:	98 %
LogP:	3.02710

Publication Number	Title	Priority Date
US-2015336946-A1	Novel 2-pyridinecarboxamide derivatives, compositions containing such compounds, and methods of treatment	20121217
US-2015141423-A1	Pesticidally active pyridyl- and pyrimidyl- substituted thiazole derivatives	20120607
US-9133218-B2	Pesticidally active pyridyl- and pyrimidyl-substituted thiazole derivatives	20120607
US-2015368235-A1	Novel 2-Aminothiazole Derivative and Anti-Cancer Composition Comprising Same as Active Ingredient	20120217
US-2014349993-A1	Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators	20111020

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GHS Hazard Statement:	H302 (84.78%): 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:	70
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	259.84415
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	257.84619
Rotatable Bond Count:	0
Topological Polar Surface Area:	67.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0