6-Sulfanyl-9H-Purin-2-Ol

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Properties Simple | Detailed

Formula C5H8N4OS
IUPAC Name 6-thioxo-7,8-dihydro-3h-purine-4,5,8,9-tetraid-2-one
Molecular Mass 172.208 g·mol−1
Heat of Formation 71.6 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 172.13 Å 3
Surface Area 173.06 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.94 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-hydroxy-6-thiopurine
  • 2h-purin-2-one, 1,3,6,7-tetrahydro-6-thioxo-
  • 6-sulfanylidene-3,7-dihydropurin-2-one
  • 6-thioxanthine
  • 6-thioxo-1,3,6,9-tetrahydro-purin-2-one
  • 6-thioxo-3,7-dihydropurin-2-one
  • bb_nc-0573
  • thioxanthine
CAS Number(s)
  • 2002-59-7
InChIKey RJOXFJDOUQJOMQ-UHFFFAOYSA-N
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