6-(N-(4-Bromo-3-Methylphenyl)Amino)-7-Methylthio-5,8-Quinolinedione

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Properties Simple | Detailed

Formula C17H13BrN2O2S
IUPAC Name 6-(4-bromo-3-methyl-anilino)-7-methylsulfanyl-quinoline-5,8-dione
Molecular Mass 389.266 g·mol−1
Heat of Formation 53.2 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 384.36 Å 3
Surface Area 328.85 Å 2
HOMO Energy -8.12 ± 0.55 eV
LUMO Energy 1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[(4-bromo-3-methyl-phenyl)amino]-7-(methylthio)quinoline-5,8-quinone
  • 6-[(4-bromo-3-methyl-phenyl)amino]-7-methylsulfanyl-quinoline-5,8-dione
  • 6-[(4-bromo-3-methylphenyl)amino]-7-(methylthio)quinoline-5,8-dione
  • 6-[n-(4-bromo-3-methylphenyl)amino]-7-methylthio-5,8-quinolinedione
InChIKey TWGKHIPALAQBPR-UHFFFAOYSA-N
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Elements C H O N S Br