2-Mercaptopurine

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Properties Simple | Detailed

Formula C5H10N4S
IUPAC Name 3,6,7,8-tetrahydropurine-1,4,5,6,8,9-hexaide-2-thione
Molecular Mass 158.225 g·mol−1
Heat of Formation 349.2 ± 16.7 kJ·mol−1
Dipole Moment 8.43 ± 1.08 D
Volume 161.95 Å 3
Surface Area 165.67 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 1.46 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3-dihydro-2h-purine-2-thione
  • 2-purinethiol
  • 2-thiopurine
  • 2h-purine-2-thione, 1,3-dihydro-
  • 2h-purine-2-thione, 1,3-dihydro- (9ci)
  • 3,7-dihydropurine-2-thione
  • 5-mercaptopurine
  • purine-2-thiol
CAS Number(s)
  • 28128-19-0
  • 31441-78-8
InChIKey HDBQZGJWHMCXIL-UHFFFAOYSA-N
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