1,3-Dibutyl-2-Thiobarbituric Acid

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Properties Simple | Detailed

Formula C12H20N2O2S
IUPAC Name 1,3-dibutyl-2-thioxo-hexahydropyrimidine-4,6-dione
Molecular Mass 256.364 g·mol−1
Heat of Formation -411.9 ± 16.7 kJ·mol−1
Dipole Moment 1.20 ± 1.08 D
Volume 322.03 Å 3
Surface Area 292.18 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dibutyl-2-sulfanylidene-1,3-diazinane-4,6-dione
  • 1,3-dibutyl-2-thioxo-hexahydropyrimidine-4,6-quinone
  • 1,3-dibutyl-2-thioxohexahydropyrimidine-4,6-dione
  • 4,6(1h,5h)-pyrimidinedione, 1,3-dibutyldihydro-2-thioxo-
CAS Number(s)
  • 54443-89-9
InChIKey JNFBSDIDVPDZHB-UHFFFAOYSA-N
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