1-[(2-Hydroxyethoxy)Methyl]-5-Methyl-6-(Phenylsulfanyl)-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C14H16N2O4S
IUPAC Name 1-(2-hydroxyethoxymethyl)-5-methyl-6-phenylsulfanyl-pyrimidine-2,4-dione
Molecular Mass 308.353 g·mol−1
Heat of Formation -588.6 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 346.41 Å 3
Surface Area 286.59 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • 1-((2-hydroxyethoxy)methyl)-5-methyl-6-(phenylthio)-2,4(1h,3h)-pyrimidinedione
  • 1-((2-hydroxyethoxy)methyl)-6-(phenylthio)thymine
  • 1-((2-hydroxyethoxy)methyl)-6-phenylthiothymine
  • 1-(2-hydroxyethoxymethyl)-5-methyl-6-(phenylthio)pyrimidine-2,4-dione
  • 1-(2-hydroxyethoxymethyl)-5-methyl-6-(phenylthio)pyrimidine-2,4-quinone
  • 1-(2-hydroxyethoxymethyl)-5-methyl-6-phenylsulfanylpyrimidine-2,4-dione
  • 1-(2-hydroxyethyloxymethyl)-6-phenyl thiothymine
  • 1-(2ohetome)-6-(phs)t
  • 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine
  • 2,4(1h,3h)-pyrimidinedione, 1-((2-hydroxyethoxy)methyl)-5-methyl-6-(phenylthio)-
  • 6-hept
  • hef
  • hmptt
CAS Number(s)
  • 123027-56-5
InChIKey HDMHBHNRWDNNCD-UHFFFAOYSA-N
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