N-Acetyl-S-(1,2-Dichlorovinyl)-L-Cysteine

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Properties Simple | Detailed

Formula C7H9Cl2NO3S
IUPAC Name (2r)-2-acetamido-3-[(z)-1,2-dichlorovinyl]sulfanyl-propanoic acid
Molecular Mass 258.122 g·mol−1
Heat of Formation -602.3 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 265.13 Å 3
Surface Area 227.39 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-acetamido-3-[(z)-1,2-dichloroethenyl]sulfanyl-propanoic acid
  • (2r)-2-acetamido-3-[(z)-1,2-dichloroethenyl]sulfanylpropanoic acid
  • (2r)-2-acetamido-3-[(z)-1,2-dichlorovinyl]sulfanyl-propanoic acid
  • (2r)-2-acetamido-3-[[(z)-1,2-dichlorovinyl]thio]propanoic acid
  • (2r)-2-acetamido-3-[[(z)-1,2-dichlorovinyl]thio]propionic acid
  • l-cysteine, n-acetyl-s-(1,2-dichloroethenyl)-
  • n-acetyl-s-(1,2-dichloroethenyl)-l-cysteine
  • s-dichlorovinyl-n-acetylcysteine
CAS Number(s)
  • 2148-31-4
InChIKey LPPJGTSPIBSYQO-KDXUVAGDSA-N
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