S-(2-Acetamidoethyl) 2-Propenethioate

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Properties Simple | Detailed

Formula C7H11NO2S
IUPAC Name s-(2-acetamidoethyl) prop-2-enethioate
Molecular Mass 173.233 g·mol−1
Heat of Formation -312.1 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 214.79 Å 3
Surface Area 211.63 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • prop-2-enethioic acid s-(2-acetamidoethyl) ester
  • s-(2-acetamidoethyl) prop-2-enethioate
  • s-acrylyl-n-acetylcysteamine
  • sanac
CAS Number(s)
  • 96837-32-0
InChIKey AOTWQUHMALRMJO-UHFFFAOYSA-N
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