5-Ethyl-5-[(2R)-2-Pentanyl]-2-Thioxodihydro-4,6(1H,5H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C11H18N2O2S
IUPAC Name 5-ethyl-5-[(1r)-1-methylbutyl]-2-thioxo-hexahydropyrimidine-4,6-dione
Molecular Mass 242.338 g·mol−1
Heat of Formation -426.4 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 296.35 Å 3
Surface Area 263.43 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • 5-ethyl-5-[(1r)-1-methylbutyl]-2-thioxo-hexahydropyrimidine-4,6-dione
  • 5-ethyl-5-[(1r)-1-methylbutyl]-2-thioxo-hexahydropyrimidine-4,6-quinone
  • 5-ethyl-5-[(1r)-1-methylbutyl]-2-thioxohexahydropyrimidine-4,6-dione
InChIKey IUJDSEJGGMCXSG-SSDOTTSWSA-N
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