S-{2-[(2,5-Dioxo-1-Pyrrolidinyl)Oxy]-2-Oxoethyl} Ethanethioate

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Properties Simple | Detailed

Formula C8H9NO5S
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate
Molecular Mass 231.226 g·mol−1
Heat of Formation -711.7 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 249.17 Å 3
Surface Area 238.16 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • (2,5-dioxopyrrolidin-1-yl) 2-ethanoylsulfanylethanoate
  • 2-(acetylthio)acetic acid (2,5-dioxo-1-pyrrolidinyl) ester
  • 2-(acetylthio)acetic acid succinimido ester
  • ethanethioic acid, s-(2-((2,5-dioxo-1-pyrrolidinyl)oxy)-2-oxoethyl) ester
  • hsata
  • n-hydroxysuccinimide s-acetylthioacetate
  • n-succinimidyl-s-acetylthioacetate
  • s-acetylthioacetic acid n-hydroxysuccinimide ester
  • sata
CAS Number(s)
  • 76931-93-6
InChIKey FLCQLSRLQIPNLM-UHFFFAOYSA-N
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