7-Methylpyrido[3',2':4,5]Thieno[3,2-D][1,2,3]Triazin-4(1H)-One

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Properties Simple | Detailed

Formula C9H6N4OS
IUPAC Name 7-methylpyrido[1,2]thieno[3,4-b]triazine-1,5-diium-4-one
Molecular Mass 218.235 g·mol−1
Heat of Formation 242.0 ± 16.7 kJ·mol−1
Dipole Moment 8.59 ± 1.08 D
Volume 227.78 Å 3
Surface Area 218.63 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 1.35 ± eV
Point Group Symmetry Cs
Synonyms
  • 4-hydroxy-7-methyl-1,2,3-triazino[4',5'-4,5]thiopheno[2,3-b]pyridine
  • 7-methylpyrido(3',2'-4,5)thieno(3,2-d)-1,2,3-triazine-4(3h)-one
  • pyrido(3',2':4,5)thieno(3,2-d)-1,2,3-triazin-4(1h)-one, 7-methyl-, (sp-4-2)-
  • rhc 2963
  • rhc-2963
CAS Number(s)
  • 76993-12-9
InChIKey XPNLYKTVHBISJO-UHFFFAOYSA-N
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