N-Acetyl-S-(2,4,5-Trichlorophenyl)-L-Cysteine

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Properties Simple | Detailed

Formula C11H10Cl3NO3S
IUPAC Name (2r)-2-acetamido-3-(2,4,5-trichlorophenyl)sulfanyl-propanoic acid
Molecular Mass 342.626 g·mol−1
Heat of Formation -610.8 ± 16.7 kJ·mol−1
Dipole Moment 2.94 ± 1.08 D
Volume 345.41 Å 3
Surface Area 274.91 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 1.62 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-acetamido-3-(2,4,5-trichlorophenyl)sulfanyl-propanoic acid
  • (2r)-2-acetamido-3-[(2,4,5-trichlorophenyl)thio]propanoic acid
  • (2r)-2-acetamido-3-[(2,4,5-trichlorophenyl)thio]propionic acid
  • l-cysteine, n-acetyl-s-(2,4,5-trichlorophenyl)-
  • n-acetyl-s-(trichlorophenyl)-l-cysteine
  • n-acetyl-s-(trichlorophenyl)cysteine
CAS Number(s)
  • 64636-24-4
InChIKey DFHTYWRSLBSWOQ-VIFPVBQESA-N
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