2-Thiouracil

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Properties Simple | Detailed

Formula C4H4N2OS
IUPAC Name 2-thioxopyrimidin-4-one
Molecular Mass 128.152 g·mol−1
Heat of Formation -49.8 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 138.35 Å 3
Surface Area 146.87 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,3-dihydro-2-thioxo-4(1h)-pyrimidinone
  • 2-mercapto-4(1h)-pyrimidinone
  • 2-mercapto-4-hydroxypyrimidine
  • 2-mercapto-4-pyrimidinol
  • 2-mercapto-4-pyrimidone
  • 2-mercaptopyrimid-4-one
  • 2-sulfanylidene-1h-pyrimidin-4-one
  • 2-thio-1,3-pyrimidin-4-one
  • 2-thio-2,4-(1h,3h)-pyrimidinedione
  • 2-thio-4-oxo-1,3-pyrimidine
  • 2-thio-4-oxypyrimidine
  • 2-thio-6-oxypyrimidine
  • 2-thiouracil (van)
  • 2-thioxo-1h-pyrimidin-4-one
  • 2-thioxo-2,3-dihydropyrimidin-4(1h)-one
  • 2-tu
  • 4(1h)-pyrimidinone, 2,3-dihydro-2-thioxo-
  • 4-hydroxy-2(1h)-pyrimidinethione
  • 4-hydroxy-2-mercaptopyrimidine
  • 4-hydroxy-2-pyrimidinethiol
  • 4-pyrimidinol, 2-mercapto-
  • 6-hydroxy-2-mercaptopyrimidine
  • 6-thiouracil
  • antagothyroid
  • antagothyroil
  • deracil
  • nobilen
  • smp1_000293
  • t0501-8491
  • thiouracil
  • tu
  • uracil, 2-thio-
  • uracil, 2-thio- (van) (8ci)
CAS Number(s)
  • 141-90-2
  • 107646-88-8
  • 107646-89-9
  • 156-82-1
  • 4401-53-0
  • 4401-54-1
InChIKey ZEMGGZBWXRYJHK-UHFFFAOYSA-N
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