7,8-Dihydro[1,3]Thiazolo[3,2-E]Purin-4(1H)-One

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Properties Simple | Detailed

Formula C7H6N4OS
IUPAC Name 7,8-dihydro-1h-purino[8,9-b]thiazol-4-one
Molecular Mass 194.214 g·mol−1
Heat of Formation 190.8 ± 16.7 kJ·mol−1
Dipole Moment 12.11 ± 1.08 D
Volume 202.83 Å 3
Surface Area 196.85 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry Cs
Synonyms
  • 7,8-dihydro-1h-purino[8,9-b][1,3]thiazol-4-one
  • 7,8-dihydro-1h-purino[8,9-b]thiazol-4-one
  • 7,8-dihydrothiazolo(3,2-e)purin-4(1h)-one
  • npt 16416
  • thiazolo(3,2-e)purin-4(1h)-one, 7,8-dihydro-
CAS Number(s)
  • 86870-52-2
InChIKey HVYYKMWXZWPMPG-UHFFFAOYSA-N
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