N-Acetyl-S-(2,2-Dichlorovinyl)-L-Cysteine

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Properties Simple | Detailed

Formula C7H9Cl2NO3S
IUPAC Name (2r)-2-acetamido-3-(2,2-dichlorovinylsulfanyl)propanoic acid
Molecular Mass 258.122 g·mol−1
Heat of Formation -588.1 ± 16.7 kJ·mol−1
Dipole Moment 2.48 ± 1.08 D
Volume 263.97 Å 3
Surface Area 227.76 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-acetamido-3-(2,2-dichloroethenylsulfanyl)propanoic acid
  • (2r)-2-acetamido-3-(2,2-dichlorovinylsulfanyl)propanoic acid
  • (2r)-2-acetamido-3-(2,2-dichlorovinylthio)propanoic acid
  • (2r)-2-acetamido-3-(2,2-dichlorovinylthio)propionic acid
  • 2,2-dcv-nac
  • l-cysteine, n-acetyl-s-(2,2-dichloroethenyl)-
  • n-acetyl-(2,2-dichlorovinyl)cysteine
CAS Number(s)
  • 126543-43-9
InChIKey VDYGORWCAPEHPX-YFKPBYRVSA-N
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