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CAS Number: 65052-48-4
3-(methylthio)benzonitrile

Structure

 3-(methylthio)benzonitrile
Name: 3-(methylthio)benzonitrile
Synonyms:
General Information
Product Number: 65052484

CAS Registry Number 65052-48-4
Name:
Benzonitrile, 3-?(methylthio)?-
3-Methylthiobenzonitrile

 

Chemical Formula: C8H7NS
Exact Mass: 149.03
Molecular Weight: 149.21
m/z: 149.03 (100.0%), 150.03 (9.8%), 151.03 (4.6%)

 

InChI:InChI=1S/C8H7NS/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,1H3

InChI Key:IHTFSBAUENZVAX-UHFFFAOYSA-N

Canonical SMILES:CSC1=CC=CC(=C1)C#N

 

Thermal Properties Value Condition Note
Melting Point 40 °C   (3)CAS
Melting Point 39.8-41.0 °C   (2)CAS

Specification

98%
References
  1. (2) Hanson, Peter; Organic & Biomolecular Chemistry 2008, V6(4), P745-761 CAPLUS
  2. (3) Zincke, Th.; Berichte der Deutschen Chemischen Gesellschaft 1913, V46, P775-86 CAPLUS
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