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

Molecule SVG Image

Properties Simple | Detailed

Formula C7H13N4OS+
IUPAC Name 1,2,7,8-tetrahydropurino[8,9-b]thiazole-2,3,4a,5,5a,9a-hexaid-4-one
Molecular Mass 201.269 g·mol−1
Heat of Formation 190.8 ± 16.7 kJ·mol−1
Dipole Moment 12.11 ± 1.08 D
Volume 202.91 Å 3
Surface Area 196.74 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.86 ± 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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N