2-(5-Bromo-2-thienyl)ethylamine - CAS 86423-64-5

Catalog:	BB037917
Product Name:	2-(5-Bromo-2-thienyl)ethylamine
CAS:	86423-64-5
Synonyms:	2-(5-bromo-2-thiophenyl)ethanamine; 2-(5-bromothiophen-2-yl)ethanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(5-bromothiophen-2-yl)ethanamine
Description:	2-(5-Bromo-2-thienyl)ethylamine (CAS# 86423-64-5) is a useful research chemical.
Molecular Weight:	206.10
Molecular Formula:	C6H8BrNS
Canonical SMILES:	C1=C(SC(=C1)Br)CCN
InChI:	InChI=1S/C6H8BrNS/c7-6-2-1-5(9-6)3-4-8/h1-2H,3-4,8H2
InChI Key:	FXHZCFUULHJHBY-UHFFFAOYSA-N
LogP:	2.71210

Publication Number	Title	Priority Date
US-2020270257-A1	Chemical Compounds	20190130
WO-2020160075-A1	Chemical compounds	20190130
WO-2020121261-A1	3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same	20181214
US-2020223827-A1	3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same	20181214
CN-113330001-A	3, 3-difluoroallylamine or salt thereof and pharmaceutical composition containing same	20181214

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Complexity:	89.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.95608
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	204.95608
Rotatable Bond Count:	2
Topological Polar Surface Area:	54.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2