Thiobarbituric Acid

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Properties Simple | Detailed

Formula C4H4N2O2S
IUPAC Name 2-thioxohexahydropyrimidine-4,6-dione
Molecular Mass 144.152 g·mol−1
Heat of Formation -282.6 ± 16.7 kJ·mol−1
Dipole Moment 1.88 ± 1.08 D
Volume 148.37 Å 3
Surface Area 155.93 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C2v
Synonyms
  • 2-mercapto-4,6-dihydroxypyrimidine
  • 2-mercapto-4,6-dihydroxypyrimidine (van)
  • 2-mercaptobarbituric acid
  • 2-sulfanylidenedihydropyrimidine-4,6(1h,5h)-dione
  • 2-thio-4,6-dioxypyrimidine
  • 2-thiobarbituric acid
  • 2-thioxodihydropyrimidine-4,6(1h,5h)-dione
  • 2-thioxohexahydropyrimidine-4,6-quinone
  • 4,6(1h,5h)-pyrimidinedione, 2-mercapto-
  • 4,6(1h,5h)-pyrimidinedione, dihydro-2-thioxo-
  • 4,6-dihydroxy-2-thiopyrimidine
  • austranal
  • barbituric acid, 2-thio-
  • barbituric acid, 2-thio- (van) (8ci)
  • bathyran
  • dihydro-2-thioxo-4,6(1h,5h)-pyrimidinedione
  • thiobarbiturate
  • usaf ek-660
CAS Number(s)
  • 124558-04-9
  • 148021-12-9
  • 5525-79-1
  • 91759-32-9
  • 504-17-6
  • 118738-55-9
  • 121477-82-5
  • 122508-78-5
InChIKey RVBUGGBMJDPOST-UHFFFAOYSA-N
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