6-Sulfanyl-2H-Pyrazolo[3,4-D]Pyrimidin-4-Ol

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Properties Simple | Detailed

Formula C5H8N4OS
IUPAC Name 6-thioxo-2,3-dihydro-1h-pyrazolo[3,4-d]pyrimidine-3,3a,7,7a-tetraid-4-one
Molecular Mass 172.208 g·mol−1
Heat of Formation 211.0 ± 16.7 kJ·mol−1
Dipole Moment 8.32 ± 1.08 D
Volume 173.03 Å 3
Surface Area 175.22 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -2.22 ± eV
Point Group Symmetry C1
Synonyms
  • 1,5,6,7-tetrahydro-6-thioxo-4h-pyrazolo(3,4-d)pyrimidin-4-one
  • 6-mercapto-1h-pyrazolo[3,4-d]pyrimidin-4-ol
  • 6-thioxo-1,2-dihydropyrazolo[4,3-e]pyrimidin-4-one
  • t5584046
CAS Number(s)
  • 24521-76-4
InChIKey SXRSXYWROQWSGJ-UHFFFAOYSA-N
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