5-(4-Bromobenzylidene)-2-Thioxodihydro-4,6(1H,5H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C11H7BrN2O2S
IUPAC Name 5-[(4-bromophenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione
Molecular Mass 311.154 g·mol−1
Heat of Formation -74.0 ± 16.7 kJ·mol−1
Dipole Moment 3.01 ± 1.08 D
Volume 288.94 Å 3
Surface Area 264.99 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.95 ± eV
Point Group Symmetry Cs
Synonyms
  • 5-(4-bromo-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione
  • 5-(4-bromobenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone
  • 5-[(4-bromophenyl)methylene]-2-thioxohexahydropyrimidine-4,6-dione
  • bas 00277600
CAS Number(s)
  • 27430-14-4
InChIKey WQCQYEYWNSEYRK-UHFFFAOYSA-N
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Elements C H O N S Br