Sulfanediyldi-2,1-Ethanediyl Bis(3-Oxobutanoate)

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Properties Simple | Detailed

Formula C12H18O6S
IUPAC Name 2-[2-(3-oxobutanoyloxy)ethylsulfanyl]ethyl 3-oxobutanoate
Molecular Mass 290.333 g·mol−1
Heat of Formation -1118.7 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 346.03 Å 3
Surface Area 306.94 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2'-thiobis(ethyl acetoacetate)
  • 3-ketobutyric acid 2-(2-acetoacetyloxyethylthio)ethyl ester
  • 3-oxobutanoic acid 2-[2-(1,3-dioxobutoxy)ethylthio]ethyl ester
  • butanoic acid, 3-oxo-, thiodi-2,1-ethanediyl ester
  • thiodiethylene diacetoacetate
CAS Number(s)
  • 28722-25-0
InChIKey DALVRHWKHAMLRN-UHFFFAOYSA-N
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