Tcmdc-124300

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Properties Simple | Detailed

Formula C12H8OS2
IUPAC Name thianthrene 5-oxide
Molecular Mass 232.321 g·mol−1
Heat of Formation 120.0 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 248.54 Å 3
Surface Area 228.91 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry Cs
Synonyms
  • ae-562/12222893
  • thianthrene monooxide
  • thianthrene oxide
  • thianthrene s-oxide
  • thianthrene, 5-oxide
CAS Number(s)
  • 2362-50-7
InChIKey NYVGTLXTOJKHJN-UHFFFAOYSA-N
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