N-Acetyl-S-[(2Z)-3-Chloro-2-Propen-1-Yl]-L-Cysteine

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Properties Simple | Detailed

Formula C8H12ClNO3S
IUPAC Name (2r)-2-acetamido-3-[(z)-3-chloroallyl]sulfanyl-propanoic acid
Molecular Mass 237.704 g·mol−1
Heat of Formation -570.0 ± 16.7 kJ·mol−1
Dipole Moment 3.11 ± 1.08 D
Volume 268.28 Å 3
Surface Area 250.95 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-acetamido-3-[(z)-3-chloroprop-2-enyl]sulfanyl-propanoic acid
  • (2r)-2-acetamido-3-[[(z)-3-chloroprop-2-enyl]thio]propanoic acid
  • (2r)-2-acetamido-3-[[(z)-3-chloroprop-2-enyl]thio]propionic acid
  • 3-chloro-2-propenyl-n-acetyl-l-cysteine
  • acpec
  • l-cysteine, n-acetyl-s-(3-chloro-2-propenyl)-, (z)-
  • n-acetyl-s-(3-chloroprop-2-enyl)cysteine
CAS Number(s)
  • 72072-41-4
InChIKey HTIMWNVASRHSBX-XDVGHUOJSA-N
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