1,3-Diphenyl-2-Thioxodihydro-4,6(1H,5H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C16H12N2O2S
IUPAC Name 1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-dione
Molecular Mass 296.344 g·mol−1
Heat of Formation -5.2 ± 16.7 kJ·mol−1
Dipole Moment 0.64 ± 1.08 D
Volume 338.55 Å 3
Surface Area 293.54 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3-di(phenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
  • 1,3-di(phenyl)-2-thioxo-hexahydropyrimidine-4,6-dione
  • 1,3-di(phenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone
  • 1,3-di(phenyl)-2-thioxohexahydropyrimidine-4,6-dione
  • 1,3-diphenyl-2-thiobarbituric acid
  • 4,6(1h,5h)-pyrimidinedione, dihydro-1,3-diphenyl-2-thioxo-
  • chemdiv1_027797
  • dptba
  • oprea1_123484
CAS Number(s)
  • 35221-12-6
InChIKey ZFIMUSUHAOSEIE-UHFFFAOYSA-N
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