5-Phenylthieno[2,3-D]Pyrimidin-4(1H)-One

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Properties Simple | Detailed

Formula C12H8N2OS+
IUPAC Name 5-phenylthieno[2,3-d]pyrimidine-3,7-diium-4-one
Molecular Mass 228.270 g·mol−1
Heat of Formation 119.1 ± 16.7 kJ·mol−1
Dipole Moment 1.41 ± 1.08 D
Volume 250.97 Å 3
Surface Area 232.48 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry C1
Synonyms
  • 5-phenyl-3h-thieno[2,3-d]pyrimidin-4-one
  • 5-phenylthieno(2,3-d)pyrimidin-4(1h)-one
  • bas 01862213
  • sr-01000399524-2
  • thieno(2,3-d)pyrimidin-4(1h)-one, 5-phenyl-
CAS Number(s)
  • 35978-39-3
InChIKey OLGMRBGIXZANNV-UHFFFAOYSA-N
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