1,3-Dibutyl-5-Hydroxy-5-Methoxy-2-Thioxodihydro-4,6(1H,5H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C13H22N2O4S
IUPAC Name 1,3-dibutyl-5-hydroxy-5-methoxy-2-thioxo-hexahydropyrimidine-4,6-dione
Molecular Mass 302.390 g·mol−1
Heat of Formation -705.8 ± 16.7 kJ·mol−1
Dipole Moment 1.49 ± 1.08 D
Volume 370.12 Å 3
Surface Area 324.59 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dibutyl-5-hydroxy-5-methoxy-2-thioxo-hexahydropyrimidine-4,6-quinone
  • 1,3-dibutyl-5-hydroxy-5-methoxy-2-thioxohexahydropyrimidine-4,6-dione
  • 1,3-dibutyldihydro-5-hydroxy-5-methoxy-2-thioxo-4,6(1h,5h)-pyrimidinedione
  • 4,6(1h,5h)-pyrimidinedione, 1,3-dibutyldihydro-5-hydroxy-5-methoxy-2-thioxo-
  • merocil
  • n,n'-dibutyl-4,5-dihydro-5-hydroxy-5-methoxy-4-oxo-2-thiouracil
CAS Number(s)
  • 143413-72-3
InChIKey WUYOSDQTOAOHAL-UHFFFAOYSA-N
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