1,2,3-Benzotrithiole 2-Oxide

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Properties Simple | Detailed

Formula C6H4OS3
IUPAC Name 1,2λ4,3-benzotrithiole 2-oxide
Molecular Mass 188.290 g·mol−1
Heat of Formation 44.4 ± 16.7 kJ·mol−1
Dipole Moment 3.59 ± 1.08 D
Volume 186.21 Å 3
Surface Area 180.76 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 1.47 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,2,3-benzotrithiole-2-oxide
  • benzo[d][1,2,3]trithiole 2-oxide
  • benzo[d]trithiole 2-oxide
CAS Number(s)
  • 36264-19-4
InChIKey DWVGCJHATVEFEZ-UHFFFAOYSA-N
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