4-Amino-2H-Pyrazolo[3,4-D]Pyrimidine-6-Thiol

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Formula C5H5N5S
IUPAC Name 4-amino-3,7-dihydro-1h-pyrazolo[3,4-d]pyrimidine-2,3,3a,4,5,7a-hexaide-6-thione
Molecular Mass 167.192 g·mol−1
Heat of Formation 470.2 ± 16.7 kJ·mol−1
Dipole Moment 11.28 ± 1.08 D
Volume 177.88 Å 3
Surface Area 179.83 Å 2
HOMO Energy -8.03 ± 0.55 eV
LUMO Energy -2.03 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-6-mercaptopyrazolo(3,4-d)pyrimidine
  • 4-amino-6-mercaptopyrazolo[3,4-d]pyrimidine
  • 4-aminopyrazolo[3,4-d]pyrimidine-6-thiol
  • 6h-pyrazolo[3,4-d]pyrimidine-6-thione, 4-amino-1,5-dihydro-
CAS Number(s)
  • 23771-52-0
InChIKey YJMNLDSYAAJOPX-UHFFFAOYSA-N
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