Chemical Compound

Benzonitrile, 4-[2-(dimethylamino)ethenyl]-3-(methylsulfonyl)-

CAS Registry Number1161921-92-1
Benzonitrile, 4-[2-(dimethylamino)ethenyl]-3-(methylsulfonyl)- chemical structure
Primary record

Benzonitrile, 4-[2-(dimethylamino)ethenyl]-3-(methylsulfonyl)-

CAS
1161921-92-1
PubChem CID
58133789
SMILES
CN(C)/C=C/C1=C(C=C(C=C1)C#N)S(=O)(=O)C
Molecular Formula
C12H14N2O2S
Molecular Weight
250.323
Exact Mass
250.0776
InChI
InChI=1S/C12H14N2O2S/c1-14(2)7-6-11-5-4-10(9-13)8-12(11)17(3,15)16/h4-8H,1-3H3/b7-6+
InChIKey
WFOMDKBZRZJMKS-VOTSOKGWSA-N
LogP
1.4941
TPSA
61.17

Names and synonyms

  • SCHEMBL232368
  • Benzonitrile, 4-[2-(dimethylamino)ethenyl]-3-(methylsulfonyl)-
  • 1161921-92-1