Diethylthiobarbituric Acid

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Properties Simple | Detailed

Formula C8H12N2O2S
IUPAC Name 1,3-diethyl-2-thioxo-hexahydropyrimidine-4,6-dione
Molecular Mass 200.258 g·mol−1
Heat of Formation -324.5 ± 16.7 kJ·mol−1
Dipole Moment 1.13 ± 1.08 D
Volume 233.57 Å 3
Surface Area 213.56 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
  • 1,3-diethyl-2-thiobarbituric acid
  • 1,3-diethyl-2-thioxo-hexahydropyrimidine-4,6-quinone
  • 1,3-diethyl-2-thioxodihydropyrimidine-4,6(1h,5h)-dione
  • 1,3-diethyl-2-thioxohexahydropyrimidine-4,6-dione
  • 1,3-diethyldihydro-2-thioxopyrimidine-4,6(1h,5h)-dione
  • 1,3-diethylthiobarbituric acid
  • 4,6(1h,5h)-pyrimidinedione, 1,3-diethyldihydro-2-thioxo-
  • barbituric acid, 1,3-diethyl-2-thio-
  • barbituric acid, 1,3-diethyl-2-thio- (8ci)
  • n,n'-diethyl-2-thiobarbituric acid
  • n,n'-diethylthiobarbituric acid
CAS Number(s)
  • 61732-60-3
  • 5217-47-0
InChIKey SHBTUGJAKBRBBJ-UHFFFAOYSA-N
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