6-Thioxo-7,9-Dihydro-1H-Purine-2,8(3H,6H)-Dione

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Properties Simple | Detailed

Formula C5H4N4O2S
IUPAC Name 6-thioxo-7,9-dihydro-3h-purine-4,5-diide-2,8-dione
Molecular Mass 184.176 g·mol−1
Heat of Formation -148.9 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 182.99 Å 3
Surface Area 182.97 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -1.97 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-purine-2,8(3h,6h)-dione, 7,9-dihydro-6-thioxo-
  • 6-mercaptopurine-2,8-diol
  • 6-thiouric acid
  • 6-thioxo-7,9-dihydro-3h-purine-2,8-dione
  • 6-thioxo-7,9-dihydro-3h-purine-2,8-quinone
  • uric acid, 6-thio-
  • uric acid, 6-thio- (van) (8ci)
CAS Number(s)
  • 2002-60-0
InChIKey SXHQUGJSTGOXMD-UHFFFAOYSA-N
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