2-Amino-8-Mercapto-9H-Purin-6-Ol

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Properties Simple | Detailed

Formula C5H5N5OS
IUPAC Name 2-amino-8-thioxo-7,9-dihydro-3h-purin-6-one
Molecular Mass 183.191 g·mol−1
Heat of Formation 125.6 ± 16.7 kJ·mol−1
Dipole Moment 8.66 ± 1.08 D
Volume 188.84 Å 3
Surface Area 189.72 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-1,7,8,9-tetrahydro-2-thioxo-6h-purin-6-one
  • 2-amino-8-sulfanylidene-7,9-dihydro-3h-purin-6-one
  • 2-amino-8-thioxo-7,9-dihydro-3h-purin-6-one
  • oprea1_703445
  • sr-01000634975-1
CAS Number(s)
  • 28128-40-7
  • 6324-72-7
InChIKey JHEKNTQSGTVPAO-UHFFFAOYSA-N
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