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

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Properties Simple | Detailed

Formula C11H8Cl5NO3S
IUPAC Name (2r)-2-acetamido-3-(2,3,4,5,6-pentachlorophenyl)sulfanyl-propanoic acid
Molecular Mass 411.516 g·mol−1
Heat of Formation -641.2 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 383.26 Å 3
Surface Area 322.77 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -1.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-acetamido-3-(2,3,4,5,6-pentachlorophenyl)sulfanyl-propanoic acid
  • (2r)-2-acetamido-3-(2,3,4,5,6-pentachlorophenyl)sulfanylpropanoic acid
  • (2r)-2-acetamido-3-[(2,3,4,5,6-pentachlorophenyl)thio]propanoic acid
  • (2r)-2-acetamido-3-[(2,3,4,5,6-pentachlorophenyl)thio]propionic acid
  • pentachlorophenylmercapturic acid
CAS Number(s)
  • 68593-98-6
InChIKey CXDOSRKBOPYXSZ-BYPYZUCNSA-N
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