1-[(2R,5S)-5-(Hydroxymethyl)Tetrahydro-2-Furanyl]-5-Methyl-4-Thioxo-3,4-Dihydro-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C10H14N2O3S++
IUPAC Name 1-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-4-thioxo-pyrimidin-2-one
Molecular Mass 242.295 g·mol−1
Heat of Formation -474.0 ± 16.7 kJ·mol−1
Dipole Moment 6.15 ± 1.08 D
Volume 275.94 Å 3
Surface Area 248.78 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,5s)-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-methyl-4-thioxo-2-pyrimidinone
  • 1-[(2r,5s)-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-sulfanylidene-pyrimidin-2-one
  • 1-[(2r,5s)-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-sulfanylidenepyrimidin-2-one
  • 1-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-4-thioxo-pyrimidin-2-one
  • 3'-deoxy-4-thiothymidine
  • 5-methyl-1-[(2r,5s)-5-methyloltetrahydrofuran-2-yl]-4-thioxo-pyrimidin-2-one
  • ddthds
  • thymidine, 3'-deoxy-4-thio-
CAS Number(s)
  • 122568-03-0
InChIKey FLRWGUIHNUCNJN-JGVFFNPUSA-N
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