8,9-Dihydro-7H-[1,2,3]Triazolo[4',5':4,5]Pyrimido[6,1-B][1,3]Thiazin-5(1H)-One

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Formula C7H7N5OS
IUPAC Name 1,7,8,9-tetrahydrotriazolo[1,2]pyrimido[4,5-b][1,3]thiazin-5-one
Molecular Mass 209.228 g·mol−1
Heat of Formation 260.2 ± 16.7 kJ·mol−1
Dipole Moment 11.09 ± 1.08 D
Volume 214.38 Å 3
Surface Area 202.93 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -2.01 ± eV
Point Group Symmetry C1
Synonyms
  • 7h-1,2,3-triazolo(4',5':4,5)pyrimido(6,1-b)(1,3)thiazin-5(1h)-one, 8,9-dihydro-
  • 7h-8,9-dihydro-(1,2,3)triazolo(4',5'-4,5)pyrimido(6,1-b)(1,3)thiazine-5(1h)-one
  • 9h-7,8-dihydro-(1,2,3)triazolo(4',5'-4,5)pyrimido(6,1-b)(1,3)thiazine-5(3h)-one
  • trpyrth
CAS Number(s)
  • 146404-37-7
InChIKey TVYQLGHZPCLRIJ-UHFFFAOYSA-N
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