2,5-Diamino[1,3]Thiazolo[4,5-D]Pyrimidin-7(4H)-One

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Properties Simple | Detailed

Formula C5H5N5OS
IUPAC Name 2,5-diaminothiazolo[4,5-d]pyrimidin-5-ylium-6-id-7-one
Molecular Mass 183.191 g·mol−1
Heat of Formation 77.5 ± 16.7 kJ·mol−1
Dipole Moment 7.45 ± 1.08 D
Volume 184.78 Å 3
Surface Area 186.2 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5-diamino-4h-[1,3]thiazolo[5,4-e]pyrimidin-7-one
  • 2,5-diamino-4h-thiazolo[5,4-e]pyrimidin-7-one
  • 2,5-diaminothiazolo(4,5-d)pyrimidin-7-(6h)-one
  • dat-4p
  • thiazolo(4,5-d)pyrimidin-7(4h)-one, 2,5-diamino-
CAS Number(s)
  • 22288-77-3
InChIKey QWAUZOMMNINGON-UHFFFAOYSA-N
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