6-[(3,5-Dimethylphenyl)Sulfanyl]-1-[(2-Hydroxyethoxy)Methyl]-5-Isopropyl-2-Thioxo-2,3-Dihydro-4(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C18H24N2O3S2++
IUPAC Name 6-(3,5-dimethylphenyl)sulfanyl-1-(2-hydroxyethoxymethyl)-5-isopropyl-2-thioxo-pyrimidin-4-one
Molecular Mass 380.525 g·mol−1
Heat of Formation -431.2 ± 16.7 kJ·mol−1
Dipole Moment 5.82 ± 1.08 D
Volume 453.46 Å 3
Surface Area 382.82 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • 4(1h)-pyrimidinone, 6-((3,5-dimethylphenyl)thio)-2,3-dihydro-1-((2-hydroxyethoxy)methyl)-5-(1-methylethyl)-2-thioxo-
  • 5-ipr-3',5'-dimehept-s
  • 5-isopropyl-1-((hydroxyethoxy)methyl)-6-(3,5-dimethylphenythio)-2-thiouracil
  • 6-(3,5-dimethylphenyl)sulfanyl-1-(2-hydroxyethoxymethyl)-5-propan-2-yl-2-sulfanylidene-pyrimidin-4-one
  • 6-(3,5-dimethylphenyl)sulfanyl-1-(2-hydroxyethoxymethyl)-5-propan-2-yl-2-sulfanylidenepyrimidin-4-one
  • 6-[(3,5-dimethylphenyl)thio]-1-(2-hydroxyethoxymethyl)-5-isopropyl-2-thioxo-4-pyrimidinone
  • 6-[(3,5-dimethylphenyl)thio]-1-(2-hydroxyethoxymethyl)-5-isopropyl-2-thioxo-pyrimidin-4-one
  • 6-[(3,5-dimethylphenyl)thio]-5-isopropyl-1-[(2-hydroxyethoxy)methyl]-2-thiouracil
  • i-hepu-sdm
CAS Number(s)
  • 137897-89-3
InChIKey BFWDEZUKKBSUKN-UHFFFAOYSA-N
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