N-Acetyl-S-(Trichlorovinyl)-L-Cysteine

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Properties Simple | Detailed

Formula C7H8Cl3NO3S
IUPAC Name (2r)-2-acetamido-3-(1,2,2-trichlorovinylsulfanyl)propanoic acid
Molecular Mass 292.567 g·mol−1
Heat of Formation -604.1 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 284.69 Å 3
Surface Area 252.34 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-acetamido-3-(1,2,2-trichloroethenylsulfanyl)propanoic acid
  • (2r)-2-acetamido-3-(1,2,2-trichlorovinylsulfanyl)propanoic acid
  • (2r)-2-acetamido-3-(1,2,2-trichlorovinylthio)propanoic acid
  • (2r)-2-acetamido-3-(1,2,2-trichlorovinylthio)propionic acid
  • l-cysteine, n-acetyl-s-(trichloroethenyl)-
  • n-acetyl-s-(trichloroethenyl)-l-cysteine
  • s-trichlorovinyl-n-acetylcysteine
CAS Number(s)
  • 111348-61-9
InChIKey NBGLMNHGJFSOCH-BYPYZUCNSA-N
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