N-Acetyl-S-(2,3-Dichlorophenyl)-L-Cysteine

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Properties Simple | Detailed

Formula C11H11Cl2NO3S
IUPAC Name (2r)-2-acetamido-3-(2,3-dichlorophenyl)sulfanyl-propanoic acid
Molecular Mass 308.181 g·mol−1
Heat of Formation -579.8 ± 16.7 kJ·mol−1
Dipole Moment 2.49 ± 1.08 D
Volume 321.71 Å 3
Surface Area 260.93 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 1.94 ± eV
Point Group Symmetry C1
Synonyms
  • (2,3-dichlorophenyl)mercapturic acid
  • (2r)-2-acetamido-3-(2,3-dichlorophenyl)sulfanyl-propanoic acid
  • (2r)-2-acetamido-3-[(2,3-dichlorophenyl)thio]propanoic acid
  • (2r)-2-acetamido-3-[(2,3-dichlorophenyl)thio]propionic acid
  • 2,3-dcpma
  • l-cysteine, n-acetyl-s-(2,3-dichlorophenyl)-
  • n-acetyl-s-(2,3-dichlorophenyl)cysteine
CAS Number(s)
  • 70278-04-5
InChIKey HBLSMTPVBVLGLB-QMMMGPOBSA-N
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