S,S'-{1,2-Ethanediylbis[Imino(2-Oxo-2,1-Ethanediyl)]} Dibenzenecarbothioate

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Properties Simple | Detailed

Formula C20H20N2O4S2
IUPAC Name s-[2-[2-[(2-benzoylsulfanylacetyl)amino]ethylamino]-2-oxo-ethyl] benzenecarbothioate
Molecular Mass 416.514 g·mol−1
Heat of Formation -479.5 ± 16.7 kJ·mol−1
Dipole Moment 6.82 ± 1.08 D
Volume 490.25 Å 3
Surface Area 364.69 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • bbmaeda
  • benzenecarbothioic acid s-[2-oxo-2-[2-[[1-oxo-2-[(oxo-phenylmethyl)thio]ethyl]amino]ethylamino]ethyl] ester
  • benzenecarbothioic acid, 2-(((3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl)amino)-, (sp-4-2)-
  • n,n'-bis(s-benzoylmercaptoacetamido)ethylenediamine
  • s-[2-[2-[[2-(benzoylsulfanyl)acetyl]amino]ethylamino]-2-oxo-ethyl] benzenecarbothioate
  • s-[2-oxo-2-[2-(2-phenylcarbonylsulfanylethanoylamino)ethylamino]ethyl] benzenecarbothioate
  • thiobenzoic acid s-[2-[2-[[2-(benzoylthio)acetyl]amino]ethylamino]-2-keto-ethyl] ester
CAS Number(s)
  • 75948-92-4
InChIKey KXZLSQPHRKIMBL-UHFFFAOYSA-N
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