S-{(2R)-2-Acetamido-3-[(4-Hydroxyphenyl)Amino]-3-Oxopropyl} Ethanethioate

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Formula C13H16N2O4S
IUPAC Name s-[(2r)-2-acetamido-3-(4-hydroxyanilino)-3-oxo-propyl] ethanethioate
Molecular Mass 296.342 g·mol−1
Heat of Formation -649.7 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 343.31 Å 3
Surface Area 318.52 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • ethanethioic acid s-[(2r)-2-acetamido-3-[(4-hydroxyphenyl)amino]-3-keto-propyl] ester
  • ethanethioic acid s-[(2r)-2-acetamido-3-[(4-hydroxyphenyl)amino]-3-oxopropyl] ester
  • ethanethioic acid, s-(2-(acetylamino)-3-((4-hydroxyphenyl)amino)-3-oxopropyl) ester, (r)-
  • n,s-diacetylcysteine-p-hydroxyanilide
  • s-[(2r)-2-acetamido-3-[(4-hydroxyphenyl)amino]-3-oxo-propyl] ethanethioate
  • s-[(2r)-2-acetamido-3-[(4-hydroxyphenyl)amino]-3-oxopropyl] ethanethioate
  • z 2004
  • z-2004
CAS Number(s)
  • 35143-94-3
InChIKey ACRATVDBLDWEOR-LBPRGKRZSA-N
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