5-Ethyl-5-(3-Pentanyl)-2-Thioxodihydro-4,6(1H,5H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C11H18N2O2S
IUPAC Name 5-ethyl-5-(1-ethylpropyl)-2-thioxo-hexahydropyrimidine-4,6-dione
Molecular Mass 242.338 g·mol−1
Heat of Formation -425.3 ± 16.7 kJ·mol−1
Dipole Moment 3.22 ± 1.08 D
Volume 295.53 Å 3
Surface Area 253.51 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • 4,6(1h,5h)-pyrimidinedione, 5-ethyl-5-(1-ethylpropyl)dihydro-2-thioxo-
  • 5-ethyl-5(1-ethylpropyl) 2-thiobarbituric acid
  • 5-ethyl-5-(1-ethylpropyl)-2-thiobarbituric acid
  • 5-ethyl-5-(1-ethylpropyl)-2-thioxo-hexahydropyrimidine-4,6-quinone
  • 5-ethyl-5-(1-ethylpropyl)-2-thioxohexahydropyrimidine-4,6-dione
  • barbituric acid, 5-ethyl-5-(1-ethylpropyl)-2-thio-
CAS Number(s)
  • 87171-21-9
InChIKey VMBXKUPZOMUHQT-UHFFFAOYSA-N
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