9H-Purine-2,6-Dithiol

Molecule SVG Image

Properties Simple | Detailed

Formula C5H8N4S2
IUPAC Name 7,8-dihydro-3h-purine-4,5,8,9-tetraide-2,6-dithione
Molecular Mass 188.274 g·mol−1
Heat of Formation 331.9 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 191.0 Å 3
Surface Area 188.32 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -2.17 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-purine-2,6-dithione, 3,7-dihydro-
  • 1h-purine-2,6-dithione, 3,7-dihydro- (9ci)
  • 2,6-dimercapto-7h-purine
  • 2,6-dimercaptopurine
  • 2,6-dithiopurine
  • 2,6-dithioxanthine
  • 2,6-purinedithiol
  • 3,7-dihydro-1h-purine-2,6-dithione
  • 3,7-dihydropurine-2,6-dithione
  • 3,9-dihydro-purine-2,6-dithione
  • dithiopurine
  • dithioxanthine
  • purine-2,6-dithiol
  • purinedithiol
  • uo8472000
  • xanthine, 2,6-dithio-
  • xanthine, dithio- (7ci,8ci)
CAS Number(s)
  • 5437-25-2
InChIKey VQPMXSMUUILNFZ-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C N