Bay 11-7082

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Properties Simple | Detailed

Formula C10H9NO2S
IUPAC Name (e)-3-(p-tolylsulfonyl)prop-2-enenitrile
Molecular Mass 207.249 g·mol−1
Heat of Formation -51.0 ± 16.7 kJ·mol−1
Dipole Moment 5.96 ± 1.08 D
Volume 240.03 Å 3
Surface Area 233.83 Å 2
HOMO Energy -10.33 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry Cs
Synonyms
  • (e)-3-(4-methylphenyl)sulfonylacrylonitrile
  • (e)-3-(4-methylphenyl)sulfonylprop-2-enenitrile
  • (e)-3-(4-methylphenylsulfonyl)-2-propenenitrile
  • (e)3-[(4-methylphenyl)sulfonyl]-2-propenenitrile
  • 2-propenenitrile, 3-((4-methylphenyl)sulfonyl)-
  • 3-((4-methylphenyl)sulfonyl)-2-propenenitrile
  • 3-(4-methylphenyl)sulfonylacrylonitrile
  • 3-(4-methylphenyl)sulfonylprop-2-enenitrile
  • 3-(4-methylphenylsulfonyl)-2-propenenitrile
  • 3-(4-tolylsulfonyl)acrylonitrile
  • 3-(p-toluenesulfonyl)acrylonitrile
  • 3-(p-tolylsulfonyl)acrylonitrile
  • acrylonitrile, 3-(p-tolylsulfonyl)- (7ci,8ci)
  • bio2_000429
  • bio2_000909
  • biomolki2_000006
  • biomolki_000065
  • caswell no. 859a
  • cp 15749-3
  • curator_000002
  • epa pesticide chemical code 459200
  • iflab1_000040
  • oprea1_624859
CAS Number(s)
  • 19542-67-7
  • 1424-48-2
InChIKey DOEWDSDBFRHVAP-KRXBUXKQSA-N
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