5,6-Dimethyl-3-(4-Methyl-2-Pyridinyl)-2-Thioxo-2,3-Dihydrothieno[2,3-D]Pyrimidin-4(1H)-One

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Properties Simple | Detailed

Formula C14H13N3OS2+
IUPAC Name 5,6-dimethyl-3-(4-methyl-2-pyridyl)-2-sulfanyl-thieno[2,3-d]pyrimidine-3,7-diium-4-one
Molecular Mass 303.403 g·mol−1
Heat of Formation 68.9 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 336.79 Å 3
Surface Area 302.2 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
Synonyms
  • hts 12825
  • sr-01000638223-1
InChIKey NYDQMBWQPMNQIZ-UHFFFAOYSA-N
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