2,3-Bis(Acetylmercaptomethyl)Quinoxaline

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Properties Simple | Detailed

Formula C14H14N2O2S2
IUPAC Name s-[[3-(acetylsulfanylmethyl)quinoxalin-2-yl]methyl] ethanethioate
Molecular Mass 306.403 g·mol−1
Heat of Formation -119.1 ± 16.7 kJ·mol−1
Dipole Moment 0.61 ± 1.08 D
Volume 350.2 Å 3
Surface Area 306.94 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C2
Synonyms
  • ethanethioic acid s-[[3-[(acetylthio)methyl]-2-quinoxalinyl]methyl] ester
  • ethanethioic acid s-[[3-[(acetylthio)methyl]quinoxalin-2-yl]methyl] ester
  • ethanethioic acid, s,s'-(2,3-quinoxalinediylbis(methylene)) ester
  • s-[[3-(ethanoylsulfanylmethyl)quinoxalin-2-yl]methyl] ethanethioate
CAS Number(s)
  • 36014-40-1
InChIKey KIYGADXCTZZZDG-UHFFFAOYSA-N
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