4-Hydroxy-5-Sulfanyl-2,4-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C6H6O2S
IUPAC Name 4-hydroxy-5-sulfanyl-cyclohexa-2,4-dien-1-one
Molecular Mass 142.176 g·mol−1
Heat of Formation -226.9 ± 16.7 kJ·mol−1
Dipole Moment 2.46 ± 1.08 D
Volume 158.08 Å 3
Surface Area 160.93 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 1.74 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-benzenediol, 2-mercapto-
  • 1-thio-2,5-dihydroxybenzene
  • 2,5-dihydroxythiophenol
  • 4-hydroxy-5-mercapto-1-cyclohexa-2,4-dienone
  • 4-hydroxy-5-mercapto-cyclohexa-2,4-dien-1-one
  • 4-hydroxy-5-sulfanylcyclohexa-2,4-dien-1-one
CAS Number(s)
  • 2889-61-4
InChIKey WIHVHOGDPZQWJZ-UHFFFAOYSA-N
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