2-(Aminomethyl)-5-cyanothiophene - CAS 227279-10-9

Catalog:	BB017725
Product Name:	2-(Aminomethyl)-5-cyanothiophene
CAS:	227279-10-9
Synonyms:	5-(aminomethyl)-2-thiophenecarbonitrile; 5-(aminomethyl)thiophene-2-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	5-(aminomethyl)thiophene-2-carbonitrile
Description:	2-(Aminomethyl)-5-cyanothiophene (CAS# 227279-10-9) is a useful research chemical compound.
Molecular Weight:	138.19
Molecular Formula:	C6H6N2S
Canonical SMILES:	C1=C(SC(=C1)C#N)CN
InChI:	InChI=1S/C6H6N2S/c7-3-5-1-2-6(4-8)9-5/h1-2H,3,7H2
InChI Key:	FHYNZXSHHPBOBK-UHFFFAOYSA-N
LogP:	1.77878

Publication Number	Title	Priority Date
US-2021171512-A1	Masp-2 inhibitors and methods of use	20191204
US-2021171531-A1	Masp-2 inhibitors and methods of use	20191204
WO-2021113682-A1	Masp-2 inhibitors and methods of use	20191204
WO-2021113690-A1	Masp-2 inhibitors and methods of use	20191204
EP-2731942-A1	Novel 2-piperidin-1-yl-acetamide compounds for use as tankyrase inhibitors	20110713

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Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.02516937
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	138.02516937
Rotatable Bond Count:	1
Topological Polar Surface Area:	78
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5