3-Aminothiophene-2-carbaldehyde - CAS 56489-01-1

Catalog:	BB029378
Product Name:	3-Aminothiophene-2-carbaldehyde
CAS:	56489-01-1
Synonyms:	3-amino-2-thiophenecarboxaldehyde; 3-aminothiophene-2-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	3-aminothiophene-2-carbaldehyde
Description:	3-Aminothiophene-2-carbaldehyde (CAS# 56489-01-1) is a useful research chemical compound.
Molecular Weight:	127.16
Molecular Formula:	C5H5NOS
Canonical SMILES:	C1=CSC(=C1N)C=O
InChI:	InChI=1S/C5H5NOS/c6-4-1-2-8-5(4)3-7/h1-3H,6H2
InChI Key:	TUNKHKHXIIAGRW-UHFFFAOYSA-N
LogP:	1.72400

Publication Number	Title	Priority Date
US-2016009726-A1	Bicyclic heteroaromatic carboxamide compounds useful as pim kinase inhibitors	20140714
US-9822124-B2	Bicyclic heteroaromatic carboxamide compounds useful as Pim kinase inhibitors	20140714
WO-2016010897-A1	Bicyclic heteroaromatic carboxamide compounds useful as pim kinase inhibitors	20140714
US-2013116233-A1	Novel inhibitor compounds of phosphodiesterase type 10a	20111109
US-2013116241-A1	Novel inhibitor compounds of phosphodiesterase type 10a	20111109

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Complexity:	96.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.00918496
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	127.00918496
Rotatable Bond Count:	1
Topological Polar Surface Area:	71.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3