2,8-Disulfanyl-3,7-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C5H4N4OS2
IUPAC Name 2,8-dithioxo-7,9-dihydro-3h-purin-6-one
Molecular Mass 200.241 g·mol−1
Heat of Formation 105.3 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 203.26 Å 3
Surface Area 200.49 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 1.39 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,2,3,7,8,9-hexahydro-2,8-dithioxo-6h-purin-6-one
  • 2,8-dimercapto-6-hydroxypurine
  • 2,8-disulfanylidene-7,9-dihydro-3h-purin-6-one
  • 2,8-dithio-6-hydroxypurine
  • 2,8-dithio-6-oxypurine
  • 2,8-dithioxo-7,9-dihydro-3h-purin-6-one
  • 2,8-mercaptohypoxanthine
  • 6-hydroxy-2-mercapto-7,9-dihydro-8h-purine-8-thione
  • 6h-purin-6-one, 1,2,3,7,8,9-hexahydro-2,8-dithioxo-
  • 6h-purin-6-one, 1,2,3,7,8,9-hexahydro-2,8-dithioxo- (9ci)
  • dithio-6-oxypurine
  • purine-6-ol, 2,8-dimercapto-
  • uric acid, 2,8-dithio-
  • uric acid, 2,8-dithio- (6ci,7ci,8ci)
CAS Number(s)
  • 15986-32-0
InChIKey NDSUZZIWNBVBKW-UHFFFAOYSA-N
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