3,3-Bis(Methylsulfanyl)-2-(Phenylsulfonyl)Acrylonitrile

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Properties Simple | Detailed

Formula C11H11NO2S3
IUPAC Name 2-(benzenesulfonyl)-3,3-bis(methylsulfanyl)prop-2-enenitrile
Molecular Mass 285.406 g·mol−1
Heat of Formation -17.6 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 312.0 Å 3
Surface Area 271.47 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
Synonyms
  • 2-propenenitrile, 3,3-bis(methylthio)-2-(phenylsulfonyl)-
  • 3,3-bis(methylsulfanyl)-2-phenylsulfonyl-prop-2-enenitrile
  • 3,3-bis(methylsulfanyl)-2-phenylsulfonylprop-2-enenitrile
  • 3,3-bis(methylthio)-2-phenylsulfonyl-acrylonitrile
  • 3,3-bis(methylthio)-2-phenylsulfonylprop-2-enenitrile
  • ms-6034
  • phenylsulfonyl ketenethioacetal
  • ps kta
CAS Number(s)
  • 58092-40-3
InChIKey NXPQOZAHGIFBSU-UHFFFAOYSA-N
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