4,6-Dioxo-N-Phenyl-2-Thioxohexahydro-5-Pyrimidinecarboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C11H9N3O3S
IUPAC Name 4,6-dioxo-n-phenyl-2-thioxo-hexahydropyrimidine-5-carboxamide
Molecular Mass 263.272 g·mol−1
Heat of Formation -303.6 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 282.73 Å 3
Surface Area 268.25 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry Cs
Synonyms
  • 4,6-diketo-n-phenyl-2-thioxo-hexahydropyrimidine-5-carboxamide
  • 4,6-dioxo-n-phenyl-2-thioxo-5-hexahydropyrimidinecarboxamide
  • 4,6-dioxo-n-phenyl-2-thioxo-hexahydropyrimidine-5-carboxamide
  • 5-(n-phenylcarbamoyl)-2-thiobarbituric acid
  • hsci1_000067
InChIKey JARCFMKMOFFIGZ-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N