2,3-Dibenzylthio-6-Tert-Butyl-4-Benzoquinone

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Properties Simple | Detailed

Formula C24H24O2S2
IUPAC Name 2,3-bis(benzylsulfanyl)-5-tert-butyl-1,4-benzoquinone
Molecular Mass 408.576 g·mol−1
Heat of Formation -61.8 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 496.95 Å 3
Surface Area 367.85 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3-bis(benzylthio)-5-tert-butyl-p-benzoquinone
  • 2,5-cyclohexadiene-1,4-dione, 5-(1,1-dimethylethyl)-2,3-bis((phenylmethyl)thio)-
  • 5-tert-butyl-2,3-bis(phenylmethylsulfanyl)-1,4-benzoquinone
  • 5-tert-butyl-2,3-bis(phenylmethylsulfanyl)cyclohexa-2,5-diene-1,4-dione
  • 5-tert-butyl-2,3-bis(phenylmethylthio)-1,4-benzoquinone
  • bqsbn-2
CAS Number(s)
  • 135432-47-2
InChIKey CESZLEICCACLBO-UHFFFAOYSA-N
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