2-Sulfanyl-6-(Trifluoromethyl)Pyrimidin-4-Ol

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Properties Simple | Detailed

Formula C5H3F3N2OS
IUPAC Name 2-thioxo-6-(trifluoromethyl)pyrimidin-4-one
Molecular Mass 196.150 g·mol−1
Heat of Formation -680.3 ± 16.7 kJ·mol−1
Dipole Moment 1.89 ± 1.08 D
Volume 186.29 Å 3
Surface Area 185.93 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy 1.11 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-thioxo-6-(trifluoromethyl)-1h-pyrimidin-4-one
  • 4(1h)-pyrimidinone, 2,3-dihydro-2-thioxo-6-(trifluoromethyl)-
  • 4-hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol
  • 6g-379s
  • sr-01000641990-1
  • stk087689
  • uracil, 2-thio-6-(trifluoromethyl)-
CAS Number(s)
  • 368-54-7
InChIKey YZAOETRYQWFEOY-UHFFFAOYSA-N
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