2-Methylthiophenoxyacetonitrile - CAS 72955-90-9

Catalog:	BB034732
Product Name:	2-Methylthiophenoxyacetonitrile
CAS:	72955-90-9
Synonyms:	2-[2-(methylthio)phenoxy]acetonitrile; 2-(2-methylsulfanylphenoxy)acetonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(2-methylsulfanylphenoxy)acetonitrile
Description:	2-Methylthiophenoxyacetonitrile (CAS# 72955-90-9 ) is a useful research chemical.
Molecular Weight:	179.24
Molecular Formula:	C9H9NOS
Canonical SMILES:	CSC1=CC=CC=C1OCC#N
InChI:	InChI=1S/C9H9NOS/c1-12-9-5-3-2-4-8(9)11-7-6-10/h2-5H,7H2,1H3
InChI Key:	GCBARCBKJKKWDS-UHFFFAOYSA-N
LogP:	2.31088

Publication Number	Title	Priority Date
BG-61419-B2	Derivatives of carbazolyl-(4-)-oxy-propanolamine, method for their preparation and medicamentous form containing these compounds	19780413
CS-227007-B2	Method of preparing carbazol-4-yl oxypropanolamine derivatives	19780413
DD-143607-A5	Method for producing new carbazolyl- (4) -oxy-propanolamine derivatives	19780413
DK-154555-B	Method of analogue for the preparation of carbazolyl- (4) -oxy-propanolamine derivatives or their pharmacological applicable salts	19780413
EP-0004920-A1	Derivatives of carbazolyl-4-oxypropanolamine, methods for their preparation and medicines containing them	19780413

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Complexity:	175
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