2-Chloro-5,6-Dimethoxy-3-(2-Naphthylsulfanyl)-1,4-Benzoquinone

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Properties Simple | Detailed

Formula C18H13ClO4S
IUPAC Name 2-chloro-5,6-dimethoxy-3-(2-naphthylsulfanyl)-1,4-benzoquinone
Molecular Mass 360.811 g·mol−1
Heat of Formation -253.7 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 384.5 Å 3
Surface Area 340.48 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -2.08 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5-cyclohexadiene-1,4-dione, 2-chloro-5,6-dimethoxy-3-(2-naphthalenylthio)-
  • 2-chloro-5,6-dimethoxy-3-(2-naphthylthio)-1,4-benzoquinone
  • 2-chloro-5,6-dimethoxy-3-(2-naphthylthio)-p-benzoquinone
  • 2-chloro-5,6-dimethoxy-3-naphthalen-2-ylsulfanyl-cyclohexa-2,5-diene-1,4-dione
  • 2-chloro-5,6-dimethoxy-3-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione
  • 6beta-naphthylmercapto-5-chloro-2,3-dimethoxy-4-benzoquinone
  • naphthylmercaptobenzoquinone
CAS Number(s)
  • 61145-56-0
InChIKey ICZQVVIENHPUGS-UHFFFAOYSA-N
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Elements H S C O Cl