5-[(5-Methyl-3-Thienyl)Oxy]-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C9H9N2O2S+
IUPAC Name 5-[(5-methyl-3-thienyl)oxy]-1h-pyrimidin-1-ium-2-one
Molecular Mass 209.245 g·mol−1
Heat of Formation -68.2 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 229.63 Å 3
Surface Area 222.03 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
Synonyms
  • 2(1h)-pyrimidinone, 5-((5-methyl-3-thienyl)oxy)-
  • 2(1h)-pyrimidinone, 5-[(5-methyl-3-thienyl)oxy]-
  • 2(1h)-pyrimidinone, {5-[(5-methyl-3-thienyl)oxy]-}
  • 5-((5-methyl-3-thienyl)oxy)-2(1h)-pyrimidinone
  • 5-((5-methyl-3-thienyl)oxy)-2-pyrimidinol
  • 5-[(5-methyl-3-thienyl)oxy]-1h-pyrimidin-2-one
  • mtop
CAS Number(s)
  • 96518-97-7
InChIKey DRBJAKLMKNARRC-UHFFFAOYSA-N
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