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

Molecule SVG Image

Properties Simple | Detailed

Formula C10H12N2O3S
IUPAC Name 1-[(2r,5s)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-4-thioxo-pyrimidin-2-one
Molecular Mass 240.279 g·mol−1
Heat of Formation -347.2 ± 16.7 kJ·mol−1
Dipole Moment 6.02 ± 1.08 D
Volume 269.31 Å 3
Surface Area 247.39 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,5s)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-4-sulfanylidene-pyrimidin-2-one
  • 1-[(2r,5s)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-4-sulfanylidenepyrimidin-2-one
  • 1-[(2r,5s)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-4-thioxo-2-pyrimidinone
  • 1-[(2r,5s)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-4-thioxo-pyrimidin-2-one
  • 2',3',-didehydro-3'-deoxy-4-thiothymidine
  • 2',3'-didehydro-3'-deoxy-4-thiothymidine
  • 4-thio-d4t
  • 5-methyl-1-[(2r,5s)-5-methylol-2,5-dihydrofuran-2-yl]-4-thioxo-pyrimidin-2-one
  • ddethds
CAS Number(s)
  • 5983-08-4
InChIKey AMSFVDRQDYZGRS-JGVFFNPUSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N