Thiopurinol

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Formula C5H4N4S
IUPAC Name 1,2,3,6-tetrahydropyrazolo[3,4-d]pyrimidine-3,3a,5,6,7,7a-hexaide-4-thione
Molecular Mass 152.177 g·mol−1
Heat of Formation 468.0 ± 16.7 kJ·mol−1
Dipole Moment 7.32 ± 1.08 D
Volume 163.03 Å 3
Surface Area 164.58 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -2.27 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-dihydropyrazolo[4,3-e]pyrimidine-4-thione
  • 1,5-dihydro-pyrazolo[3,4-d]pyrimidine-4-thione
  • 1h-pyrazolo(3,4-d)pyrimidin-4-thiol
  • 1h-pyrazolo(3,4-d)pyrimidine-4(5h)-thione
  • 1h-pyrazolo(3,4-d)pyrimidine-4-thiol
  • 4-mercapto-1h-pyrazolo(3,4-d)pyrimidine
  • 4h-pyrazolo(3,4-d)pyrimidine-4-thione, 1,5-dihydro-
  • 5h-pyrazolo(3,4-d)pyrimidine-4-thione
  • 8-aza-7-deaza-6-thiopurine
  • mpp (van)
  • pyrazolo(3,4-d)pyrimidine-4-thiol
  • zero/004542
InChIKey PYAOPMWCFSVFOT-UHFFFAOYSA-N
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