3'-Thiothymidine

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Properties Simple | Detailed

Formula C10H14N2O4S
IUPAC Name 1-[(2r,4s,5r)-5-(hydroxymethyl)-4-sulfanyl-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 258.294 g·mol−1
Heat of Formation -696.5 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 288.12 Å 3
Surface Area 254.17 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,4s,5r)-4-mercapto-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone
  • 1-[(2r,4s,5r)-5-(hydroxymethyl)-4-mercapto-2-tetrahydrofuranyl]-5-methylpyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-5-(hydroxymethyl)-4-sulfanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-5-(hydroxymethyl)-4-sulfanyl-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-5-(hydroxymethyl)-4-sulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
  • 3'-deoxy-3'-mercaptothymidine
  • 3'-mercapto-3'-deoxythymidine
  • 3'hs-t
  • thymidine, 3'-thio-
CAS Number(s)
  • 126862-95-1
InChIKey LNRCBWCMVHSMBJ-GJMOJQLCSA-N
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