(4S)-2-Oxo-6-Thioxohexahydro-4-Pyrimidinecarboxylic Acid

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Properties Simple | Detailed

Formula C5H6N2O3S
IUPAC Name (4s)-2-oxo-6-thioxo-hexahydropyrimidine-4-carboxylic acid
Molecular Mass 174.178 g·mol−1
Heat of Formation -462.4 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 183.45 Å 3
Surface Area 179.43 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 1.67 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-2-keto-6-thioxo-hexahydropyrimidine-4-carboxylic acid
  • (4s)-2-oxo-6-sulfanylidene-1,3-diazinane-4-carboxylic acid
  • (4s)-2-oxo-6-thioxo-4-hexahydropyrimidinecarboxylic acid
  • (4s)-2-oxo-6-thioxo-hexahydropyrimidine-4-carboxylic acid
  • 2-oxo-6-thioxohexahydropyrimidine-4-carboxylate
  • 2-pyrimidinecarboxylic acid, hexahydro-2-oxo-6-thioxo-, (s)-
  • 6-thiodihydroorotate
  • tdho
CAS Number(s)
  • 118438-67-8
InChIKey MVRPKKZJGHVFOI-REOHCLBHSA-N
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