(2E)-2-Cyano-3-{3-Ethoxy-4-Hydroxy-5-[(Phenylsulfanyl)Methyl]Phenyl}Acrylamide

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Properties Simple | Detailed

Formula C19H18N2O3S
IUPAC Name (e)-2-cyano-3-[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide
Molecular Mass 354.423 g·mol−1
Heat of Formation -180.5 ± 16.7 kJ·mol−1
Dipole Moment 0.57 ± 1.08 D
Volume 421.43 Å 3
Surface Area 351.66 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-2-cyano-3-[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide
  • (e)-2-cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]acrylamide
  • (e)-2-cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]prop-2-enamide
  • 2-cyano-3-(3-ethoxy-4-hydroxy-5-((phenylthio)methyl)phenyl)-2-propenamide
  • 2-cyano-3-[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide
  • 2-cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]acrylamide
  • 2-cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]prop-2-enamide
  • 2-propenamide, 2-cyano-3-(3-ethoxy-4-hydroxy-5-((phenylthio)methyl)phenyl)-
  • alpha-cyano-(3-ethoxy-4-hydroxy-5-phenylthiomethyl)cinnamide
  • alpha-cyano-3-ethoxy-4-hydroxy-5-(phenylthiomethyl)cinnamide
CAS Number(s)
  • 107761-24-0
InChIKey YKLMGKWXBLSKPK-RIYZIHGNSA-N
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