5-Ethyl-6-Hydroxy-1-Phenyl-2-Thioxo-2,3-Dihydro-4(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C12H12N2O2S
IUPAC Name 5-ethyl-6-hydroxy-1-phenyl-2-thioxo-pyrimidin-4-one
Molecular Mass 248.301 g·mol−1
Heat of Formation -164.1 ± 16.7 kJ·mol−1
Dipole Moment 5.87 ± 1.08 D
Volume 284.43 Å 3
Surface Area 257.29 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.10 ± eV
Point Group Symmetry C1
Synonyms
  • 5-ethyl-6-hydroxy-1-phenyl-2-sulfanylidene-pyrimidin-4-one
  • 5-ethyl-6-hydroxy-1-phenyl-2-sulfanylidenepyrimidin-4-one
  • 5-ethyl-6-hydroxy-1-phenyl-2-thioxo-4-pyrimidinone
InChIKey BUIAADVWUHKTNX-UHFFFAOYSA-N
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