Thiobarbital

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Properties Simple | Detailed

Formula C8H12N2O2S
IUPAC Name 5,5-diethyl-2-thioxo-hexahydropyrimidine-4,6-dione
Molecular Mass 200.258 g·mol−1
Heat of Formation -367.0 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 233.64 Å 3
Surface Area 214.19 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • 2-thiobarbital
  • 4,6(1h,5h)-pyrimidinedione, 5,5-diethyldihydro-2-thioxo-
  • 4,6(1h,5h)-pyrimidinedione, 5,5-diethyldihydro-2-thioxo- (9ci)
  • 5,5,-diethyl-2-thioxodihydropyrimidine-4,6-dione
  • 5,5-diethyl-2-thiobarbituric acid
  • 5,5-diethyl-2-thioxo-hexahydropyrimidine-4,6-quinone
  • 5,5-diethyl-2-thioxohexahydropyrimidine-4,6-dione
  • barbituric acid, 5,5-diethyl-2-thio-
  • cbdive_001415
  • certodorm
  • diethylthiobarbituric acid
  • go 1066
  • ibition
  • sedothyron
  • thiobaral
  • thiobarbitone
  • thiothyr
  • thyreosedine
CAS Number(s)
  • 77-32-7
InChIKey QGVNJRROSLYGKF-UHFFFAOYSA-N
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