2,5-Diamino[1,3]Thiazolo[5,4-D]Pyrimidin-7(6H)-One

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Properties Simple | Detailed

Formula C5H5N5OS+
IUPAC Name 2,5-diaminothiazolo[5,4-d]pyrimidin-7-one
Molecular Mass 183.191 g·mol−1
Heat of Formation 72.0 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 185.74 Å 3
Surface Area 186.98 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5-diamino-6h-[1,3]thiazolo[4,5-e]pyrimidin-7-one
  • 2,5-diamino-6h-thiazolo[4,5-e]pyrimidin-7-one
  • 2,5-diaminothiazolo(5,4-d)pyrimidin-7(6h)-one
  • dat-5p
CAS Number(s)
  • 103322-70-9
InChIKey UBAQQGNYBQOJRN-UHFFFAOYSA-N
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