(2E)-3-Amino-2-[(Z)-(3-Hydroxy-4-Oxo-2,5-Cyclohexadien-1-Ylidene)Methyl]-3-Sulfanylacrylonitrile

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Properties Simple | Detailed

Formula C10H8N2O2S
IUPAC Name (e)-3-amino-2-[(z)-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanyl-prop-2-enenitrile
Molecular Mass 220.248 g·mol−1
Heat of Formation 54.9 ± 16.7 kJ·mol−1
Dipole Moment 9.39 ± 1.08 D
Volume 251.05 Å 3
Surface Area 238.7 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-amino-2-[(z)-(3-hydroxy-4-keto-1-cyclohexa-2,5-dienylidene)methyl]-3-mercapto-acrylonitrile
  • (e)-3-amino-2-[(z)-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-mercaptoprop-2-enenitrile
  • (e)-3-amino-2-[(z)-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-sulfanyl-prop-2-enenitrile
  • (e)-3-amino-2-[(z)-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-sulfanylprop-2-enenitrile
  • 2-cyano-3-(3,4-dihydroxyphenyl)-2-propenethioamide
  • 2-propenethioamide, 2-cyano-3-(3,4-dihydroxyphenyl)-
  • 3,4-dihydroxy-alpha-cyanothiocinnamamide
  • 3,4-dihydroxy-alpha-cyanothiocinnamide
  • 3,4-dihydroxybenzylidenethioacetamide
  • 3-amino-2-[(z)-(3-hydroxy-4-keto-1-cyclohexa-2,5-dienylidene)methyl]-3-mercapto-acrylonitrile
  • 3-amino-2-[(z)-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-mercaptoprop-2-enenitrile
  • 3-amino-2-[(z)-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-sulfanyl-prop-2-enenitrile
  • 3-amino-2-[(z)-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-3-sulfanylprop-2-enenitrile
  • rg 50864
  • tyrphostin a47
  • tyrphostin rg50864
CAS Number(s)
  • 118409-60-2
InChIKey CTSHLCWTPAQAAB-PPHVVYHHSA-N
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