S-(2-Acetamidoethyl) (2E)-2-Decenethioate

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Properties Simple | Detailed

Formula C14H25NO2S
IUPAC Name s-(2-acetamidoethyl) (e)-dec-2-enethioate
Molecular Mass 271.419 g·mol−1
Heat of Formation -486.4 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 365.71 Å 3
Surface Area 349.92 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-dec-2-enethioic acid s-(2-acetamidoethyl) ester
  • 2-decenethioic acid, s-(2-(acetylamino)ethyl) ester
  • 2-decenoic acid n-acetylcysteamine thioester
  • 2-decenoic-nacs
  • dec-2-enethioic acid s-(2-acetamidoethyl) ester
  • s-(2-acetamidoethyl) (e)-dec-2-enethioate
  • s-(2-acetamidoethyl) (z)-dec-2-enethioate
  • s-(2-acetamidoethyl) dec-2-enethioate
CAS Number(s)
  • 15493-41-1
InChIKey HYDKTIAWESXLEF-MDZDMXLPSA-N
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