2-(Aminomethyl)-5-bromo-3-methylthiophene - CAS 1784882-27-4

Catalog:	BB013472
Product Name:	2-(Aminomethyl)-5-bromo-3-methylthiophene
CAS:	1784882-27-4
Synonyms:	(5-bromo-3-methyl-2-thiophenyl)methanamine; (5-bromo-3-methylthiophen-2-yl)methanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	(5-bromo-3-methylthiophen-2-yl)methanamine
Description:	2-(Aminomethyl)-5-bromo-3-methylthiophene (CAS# 1784882-27-4 ) is a useful research chemical.
Molecular Weight:	206.10
Molecular Formula:	C6H8BrNS
Canonical SMILES:	CC1=C(SC(=C1)Br)CN
InChI:	InChI=1S/C6H8BrNS/c1-4-2-6(7)9-5(4)3-8/h2H,3,8H2,1H3
InChI Key:	KXDXFEJOOBZAMB-UHFFFAOYSA-N

Publication Number	Title	Priority Date
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
TW-202039447-A	3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same	20181214
KR-20200073499-A	Novel 3,3-difluoroallylamine derivatives or its salt and pharmaceutical compositions comprising the same	20181214

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Complexity:	99.1
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:	1
Topological Polar Surface Area:	54.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9