Thiothymine

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Properties Simple | Detailed

Formula C5H6N2OS
IUPAC Name 5-methyl-2-thioxo-pyrimidin-4-one
Molecular Mass 142.179 g·mol−1
Heat of Formation -86.7 ± 16.7 kJ·mol−1
Dipole Moment 5.20 ± 1.08 D
Volume 159.79 Å 3
Surface Area 164.75 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,3-dihydro-5-methyl-2-thioxo-4(1h)-pyrimidinone
  • 2-thiothymine
  • 4(1h)-pyrimidinone, 2,3-dihydro-5-methyl-2-thioxo-
  • 5-methyl-2-sulfanylidene-1h-pyrimidin-4-one
  • 5-methyl-2-thiouracil
  • 5-methyl-2-thioxo-1h-pyrimidin-4-one
  • 5-methyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one
  • ac-907/25004441
  • thymine, 2-thio-
  • uracil, 5-methyl-2-thio-
  • uracil,5-methyl,2-thio
CAS Number(s)
  • 636-26-0
InChIKey ZLAQATDNGLKIEV-UHFFFAOYSA-N
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