5-Pyrimidinecarboxamide, 4,6-Dihydroxy-2-Mercapto-N-Phenyl-

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Properties Simple | Detailed

Formula C11H9N3O3S++
IUPAC Name 4-hydroxy-6-oxo-n-phenyl-2-thioxo-pyrimidine-5-carboxamide
Molecular Mass 263.272 g·mol−1
Heat of Formation -300.5 ± 16.7 kJ·mol−1
Dipole Moment 4.41 ± 1.08 D
Volume 281.69 Å 3
Surface Area 268.59 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry C1
Synonyms
  • 4,6-dihydroxy-2-mercapto-n-phenylpyrimidine-5-carboxamide
  • 4-hydroxy-6-keto-n-phenyl-2-thioxo-3h-pyrimidine-5-carboxamide
  • 4-hydroxy-6-oxo-n-phenyl-2-thioxo-3h-pyrimidine-5-carboxamide
  • 5-(n-phenylcarboxamido)-2-thiobarbituric acid
  • 5-pyrimidinecarboxamide, hexahydro-4,6-dioxo-n-phenyl-2-thioxo-
  • 6-hydroxy-4-oxo-n-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
  • cc-pmlsc-pw-kmcmerbarone
  • mb
  • merbarone
  • upddi-00294859
CAS Number(s)
  • 97534-21-9
InChIKey GFYRZTLCYQQVHZ-UHFFFAOYSA-N
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