4-Thiouracil

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Properties Simple | Detailed

Formula C4H4N2OS
IUPAC Name 4-thioxopyrimidin-2-one
Molecular Mass 128.152 g·mol−1
Heat of Formation -48.0 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 137.9 Å 3
Surface Area 146.17 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.75 ± eV
Point Group Symmetry Cs
Synonyms
  • 2(1h)-pyrimidinone, 3,4-dihydro-4-thioxo-
  • 2-hydroxy-4-mercaptopyrimidine
  • 4-sulfanylidene-1h-pyrimidin-2-one
  • 4-thioxo-1h-pyrimidin-2-one
  • 4-thioxo-3,4-dihydropyrimidin-2(1h)-one
  • kc 135
  • uracil, 4-thio-
CAS Number(s)
  • 591-28-6
InChIKey OVONXEQGWXGFJD-UHFFFAOYSA-N
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