N,S-Diacetylcysteamine

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Properties Simple | Detailed

Formula C6H11NO2S
IUPAC Name s-(2-acetamidoethyl) ethanethioate
Molecular Mass 161.222 g·mol−1
Heat of Formation -410.3 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 197.72 Å 3
Surface Area 202.71 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
Synonyms
  • acetic acid, thio-, s-ester with n-(2-mercaptoethyl)acetamide
  • ethanethioic acid s-(2-acetamidoethyl) ester
  • ethanethioic acid, s-[2-(acetylamino)ethyl] ester
  • n,s-diacetyl-2-mercaptoethylamine
  • n,s-diacetyl-beta-mercaptoethylamine
  • s-(2-(acetylamino)ethyl) ethanethioate
  • s-(2-acetamidoethyl) ethanethioate
  • s-[2-(acetyl- amino)ethyl] ethanethioate
  • thioacetic acid s-2-acetamidoethyl ester
CAS Number(s)
  • 1420-88-8
InChIKey UZLRPNHVKXCOHS-UHFFFAOYSA-N
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