1-(2-Deoxy-β-D-Erythro-Pentofuranosyl)-5-Methyl-2-Thioxo-2,3-Dihydro-4(1H)-Pyrimidinone

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Formula C10H14N2O4S
IUPAC Name 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-2-thioxo-pyrimidin-4-one
Molecular Mass 258.294 g·mol−1
Heat of Formation -642.8 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 286.04 Å 3
Surface Area 254.8 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1h-pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-methyl-2-thioxo-4-pyrimidinone
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-sulfanylidene-pyrimidin-4-one
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-2-thioxo-pyrimidin-4-one
  • 1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-2-thioxo-pyrimidin-4-one
  • 2-thiothymidine
  • thymidine, 2-thio-
CAS Number(s)
  • 28585-51-5
InChIKey PISWNSOQFZRVJK-XLPZGREQSA-N
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