Chemical Compound

4-Methyl-3-(methylsulfonyl)benzonitrile

CAS Registry Number1161921-91-0

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4-Methyl-3-(methylsulfonyl)benzonitrile chemical structure

Primary record

4-Methyl-3-(methylsulfonyl)benzonitrile

CAS: 1161921-91-0
PubChem CID: 58133710
SMILES: CC1=C(C=C(C=C1)C#N)S(=O)(=O)C
Molecular Formula: C9H9NO2S
Molecular Weight: 195.243
Exact Mass: 195.0354
InChI: InChI=1S/C9H9NO2S/c1-7-3-4-8(6-10)5-9(7)13(2,11)12/h3-5H,1-2H3
InChIKey: HEYDFPZIZTYIML-UHFFFAOYSA-N
LogP: 1.2702
TPSA: 57.93

Names and synonyms

SCHEMBL125367
4-Methyl-3-(methylsulfonyl)benzonitrile
DB-090692
1161921-91-0