6-Cyclohexylthio-1-Ethoxymethyl-5-Isopropyluracil

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Formula C16H26N2O3S
IUPAC Name 6-cyclohexylsulfanyl-1-(ethoxymethyl)-5-isopropyl-pyrimidine-2,4-dione
Molecular Mass 326.454 g·mol−1
Heat of Formation -654.1 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 399.99 Å 3
Surface Area 332.36 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(cyclohexylthio)-1-(ethoxymethyl)-5-isopropyl-pyrimidine-2,4-quinone
  • 6-(cyclohexylthio)-1-(ethoxymethyl)-5-isopropylpyrimidine-2,4-dione
  • 6-cyclohexylsulfanyl-1-(ethoxymethyl)-5-isopropyl-pyrimidine-2,4-dione
  • 6-cyclohexylsulfanyl-1-(ethoxymethyl)-5-propan-2-yl-pyrimidine-2,4-dione
  • 6-cyclohexylsulfanyl-1-ethoxymethyl-5-isopropyl-1h-pyrimidine-2,4-dione
InChIKey JKXLRLDPSLZEDD-UHFFFAOYSA-N
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