2-[4-(Methylthio)phenoxy]acetonitrile - CAS 43111-34-8

Catalog:	BB025325
Product Name:	2-[4-(Methylthio)phenoxy]acetonitrile
CAS:	43111-34-8
Synonyms:	2-[4-(methylthio)phenoxy]acetonitrile; 2-(4-methylsulfanylphenoxy)acetonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(4-methylsulfanylphenoxy)acetonitrile
Description:	2-[4-(Methylthio)phenoxy]acetonitrile (CAS# 43111-34-8 ) is a useful research chemical.
Molecular Weight:	179.24
Molecular Formula:	C9H9NOS
Canonical SMILES:	CSC1=CC=C(C=C1)OCC#N
InChI:	InChI=1S/C9H9NOS/c1-12-9-4-2-8(3-5-9)11-7-6-10/h2-5H,7H2,1H3
InChI Key:	JTRGPOKLBRTMPG-UHFFFAOYSA-N
LogP:	2.31088

Publication Number	Title	Priority Date
US-2007060663-A1	Photocurable composition, photocurable ink composition, printing method and resist composition using the same	20050915
EP-0705251-A1	Imidazole derivatives as therapeutic agents	19930622
US-5780642-A	Imidazole derivatives as therapeutic agents	19930622
US-6031109-A	Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents	19930622
US-6215001-B1	Imidazole derivatives as therapeutic agents	19930622

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Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.04048508
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	179.04048508
Rotatable Bond Count:	3
Topological Polar Surface Area:	58.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2