5,5'-[(2-Hydroxyphenyl)Methylene]Bis(2-Thioxodihydro-4,6(1H,5H)-Pyrimidinedione)

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Properties Simple | Detailed

Formula C15H12N4O5S2
IUPAC Name 5-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-yl)-(2-hydroxyphenyl)methyl]-2-thioxo-hexahydropyrimidine-4,6-dione
Molecular Mass 392.410 g·mol−1
Heat of Formation -616.3 ± 16.7 kJ·mol−1
Dipole Moment 2.60 ± 1.08 D
Volume 408.31 Å 3
Surface Area 329.77 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
Synonyms
  • 4,6(1h,5h)-pyrimidinedione, 5,5'-((2-hydroxyphenyl)methylene)bis(dihydro-2-thioxo-
  • 5,5'-(salicylidene)bis-(2-thiobarbituric acid)
  • 5,5'-sbta
  • 5-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-yl)-(2-hydroxyphenyl)methyl]-2-thioxo-hexahydropyrimidine-4,6-quinone
  • 5-[(4,6-dioxo-2-thioxo-5-hexahydropyrimidinyl)-(2-hydroxyphenyl)methyl]-2-thioxohexahydropyrimidine-4,6-dione
CAS Number(s)
  • 27430-16-6
InChIKey LZUGJPXKOZQRBM-UHFFFAOYSA-N
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