8-Sulfanylcyclohepta[C][1,2]Oxathiole-3,4-Dione

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Properties Simple | Detailed

Formula C8H4O3S2
IUPAC Name 8-sulfanylcyclohepta[c]oxathiole-3,4-dione
Molecular Mass 212.246 g·mol−1
Heat of Formation -181.3 ± 16.7 kJ·mol−1
Dipole Moment 6.01 ± 1.08 D
Volume 212.61 Å 3
Surface Area 201.03 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 1.08 ± eV
Point Group Symmetry C1
Synonyms
  • 4-hydroxy-8-thioxocyclohept(c)-1,2-oxathiol-3(8h)-one
  • 8-mercaptocyclohepta[c]oxathiole-3,4-dione
  • 8-mercaptocyclohepta[c]oxathiole-3,4-quinone
  • cb-104
  • cyclohept(c)(1,2)oxathiol-3(8h)-one, 4-hydroxy-8-thioxo-
  • cyclohept(c)-1,2-oxathiol-3(8h)-one, 4-hydroxy-8-thioxo-
  • thiotropocin
CAS Number(s)
  • 89550-93-6
InChIKey RWJXTYSZCDAMCD-UHFFFAOYSA-N
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