(2R)-3-Phenyl-2-{[(2E)-3-Phenyl-2-Propenoyl]Sulfanyl}Propanoic Acid

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Properties Simple | Detailed

Formula C18H16O3S
IUPAC Name (2r)-3-phenyl-2-[(e)-3-phenylprop-2-enoyl]sulfanyl-propanoic acid
Molecular Mass 312.383 g·mol−1
Heat of Formation -285.6 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 373.65 Å 3
Surface Area 339.98 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[(e)-1-oxo-3-phenylprop-2-enyl]thio]-3-phenylpropanoic acid
  • (2r)-3-phenyl-2-[(e)-3-phenylprop-2-enoyl]sulfanyl-propanoic acid
  • (2r)-3-phenyl-2-[(e)-3-phenylprop-2-enoyl]sulfanylpropanoic acid
  • (2r)-3-phenyl-2-[[(e)-3-phenylacryloyl]thio]propionic acid
  • benzenepropanoic acid, alpha-((1-oxo-3-phenyl-2-propenyl)thio)-, (r-(e))-
  • s-(trans-cinnamoyl)-alpha-mercapto-beta-phenylpropionate
  • s-cinnamoyl-alpha-mercapto-beta-phenylpropionate
CAS Number(s)
  • 54845-97-5
InChIKey BJQSCFOZRIESOT-LPQFERQCSA-N
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