3-Hydroxy-2-(2-thienylmethyl)propanenitrile - CAS 906075-48-7

Catalog:	BB039904
Product Name:	3-Hydroxy-2-(2-thienylmethyl)propanenitrile
CAS:	906075-48-7
Synonyms:	2-(hydroxymethyl)-3-thiophen-2-ylpropanenitrile; 2-(hydroxymethyl)-3-thiophen-2-ylpropanenitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(hydroxymethyl)-3-thiophen-2-ylpropanenitrile
Description:	3-Hydroxy-2-(2-thienylmethyl)propanenitrile (CAS# 906075-48-7) is a useful research chemical.
Molecular Weight:	167.23
Molecular Formula:	C8H9NOS
Canonical SMILES:	C1=CSC(=C1)CC(CO)C#N
InChI:	InChI=1S/C8H9NOS/c9-5-7(6-10)4-8-2-1-3-11-8/h1-3,7,10H,4,6H2
InChI Key:	VLGGRPUWGPUWSJ-UHFFFAOYSA-N

Publication Number	Title	Priority Date
EP-1836161-A2	Methods and compositions for treating amyloid-related diseases	20041222
US-2006223855-A1	Methods and compositions for treating amyloid-related diseases	20041222
US-2012015911-A1	Method and compositions for treating amyloid-related diseases	20041222
US-2014329746-A1	Methods and compositions for treating amyloid-related diseases	20041222
US-8044100-B2	Methods and compositions for treating amyloid-related diseases	20041222

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Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.04048508
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	167.04048508
Rotatable Bond Count:	3
Topological Polar Surface Area:	72.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9