4'-Thiothymidine

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Properties Simple | Detailed

Formula C10H14N2O4S++
IUPAC Name 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 258.294 g·mol−1
Heat of Formation -712.0 ± 16.7 kJ·mol−1
Dipole Moment 4.80 ± 1.08 D
Volume 287.05 Å 3
Surface Area 258.48 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrothiophenyl]-5-methylpyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrothiophen-2-yl]-5-methyl-pyrimidine-2,4-quinone
  • 4'-thionucleoside analog
  • thymidine, 4'-thio-
CAS Number(s)
  • 134111-33-4
  • 134111-35-6
InChIKey IVUDHNYLTWOARV-XLPZGREQSA-N
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