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CAS Number: 55406-13-8
3-methylthiophene-2-carbonitrile

Structure

 3-methylthiophene-2-carbonitrile
Name: 3-methylthiophene-2-carbonitrile
Synonyms:
General Information
Product Number: 55406138

CAS Registry Number 55406-13-8
Name:
2-?Thiophenecarbonitril?e, 3-?methyl-
3-Methyl-2-thiophenecarbonitrile
2-Cyano-3-methylthiophene

 

Chemical Formula: C6H5NS
Exact Mass: 123.01
Molecular Weight: 123.18
m/z: 123.01 (100.0%), 124.02 (6.5%), 125.01 (4.5%), 124.01 (1.2%)

 

InChI:InChI=1S/C6H5NS/c1-5-2-3-8-6(5)4-7/h2-3H,1H3

InChI Key:ALZHYEITUZEZMT-UHFFFAOYSA-N

Canonical SMILES:CC1=C(SC=C1)C#N

 

Thermal Properties Value Condition Note
Boiling Point 90-91 °C Press: 16 Torr (1)IC
Boiling Point 84-88 °C Press: 12 Torr (2)IC
Enthalpy See full text   (7)CAS
Formation Enthalpy See full text   (7)CAS

Specification

98%
References
  1. (1) Suzuki, Hitomi; Bulletin of the Institute for Chemical Research, Kyoto University 1974, V52(3), P561-5 CAPLUS
  2. (2) Terpstra, Jan W.; Journal of Organic Chemistry 1986, V51(2), P230-8 CAPLUS
  3. (7) Ribeiro da Silva, Manuel A. V.; Journal of Chemical Thermodynamics 2008, V40(2), P225-231 CAPLUS
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