9H-Purine, 6-(Phenyldithio)-

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Properties Simple | Detailed

Formula C11H8N4S2
IUPAC Name 6-(phenyldisulfanyl)purin-7-ium
Molecular Mass 260.338 g·mol−1
Heat of Formation 432.6 ± 16.7 kJ·mol−1
Dipole Moment 6.73 ± 1.08 D
Volume 283.46 Å 3
Surface Area 246.77 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 0.26 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purine, 6-(phenyldithio)-
  • 6-(phenyldithio)purine
  • 6-phenyldisulfanyl-7h-purine
CAS Number(s)
  • 2958-91-0
InChIKey WQJKHMQINFOCJI-UHFFFAOYSA-N
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