7H-Purine-6--So-Thioperoxol

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Properties Simple | Detailed

Formula C5H4N4OS
IUPAC Name 6-hydroxysulfanyl-7h-purine
Molecular Mass 168.176 g·mol−1
Heat of Formation 189.3 ± 16.7 kJ·mol−1
Dipole Moment 4.80 ± 1.08 D
Volume 172.09 Å 3
Surface Area 172.4 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 1.63 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-purine-6-sulfenic acid
  • 6-hydroxysulfanyl-7h-purine
  • 6-sulfeno-7h-purine
  • 7h-purine-6-sulfenic acid
  • purine-6-sulfenic acid
CAS Number(s)
  • 86335-59-3
InChIKey FRLDGEVJADJNOZ-UHFFFAOYSA-N
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