4-(5-Sulfanyl-3H-1,2-Dithiol-3-Ylidene)-2,5-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C9H8OS3
IUPAC Name 4-(5-sulfanyldithiol-3-ylidene)cyclohexa-2,5-dien-1-one
Molecular Mass 228.354 g·mol−1
Heat of Formation 156.6 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 240.61 Å 3
Surface Area 227.39 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -2.12 ± eV
Point Group Symmetry Cs
Synonyms
  • 3h-1,2-dithiole-3-thione, 5-(4-hydroxyphenyl)-
  • 4-(5-mercapto-3-dithiolylidene)-1-cyclohexa-2,5-dienone
  • 4-(5-mercaptodithiol-3-ylidene)cyclohexa-2,5-dien-1-one
  • 4-(5-sulfanyl-1,2-dithiol-3-ylidene)cyclohexa-2,5-dien-1-one
  • desmethyl-adt
  • desmethylanethol dithiolthione
  • desmethylanethol trithione
CAS Number(s)
  • 18274-81-2
InChIKey ROGBQLVTFIEBAV-UHFFFAOYSA-N
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