4-Thioxo-1,4-Dihydro-2-Quinolinecarboxylic Acid

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Formula C10H16NO2S+
IUPAC Name 4-thioxo-1,3,5,6,7,8-hexahydroquinoline-2,3,4a,5,6,7,8,8a-octaide-2-carboxylic acid
Molecular Mass 214.305 g·mol−1
Heat of Formation -102.8 ± 16.7 kJ·mol−1
Dipole Moment 6.44 ± 1.08 D
Volume 223.25 Å 3
Surface Area 215.32 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy 1.20 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-quinolinecarboxylic acid, 4-mercapto-
  • 4-sulfanylidene-1h-quinoline-2-carboxylic acid
  • 4-thiokynurenic acid
  • 4-thioxo-1h-quinoline-2-carboxylic acid
  • thiokynurenate
CAS Number(s)
  • 135025-53-5
InChIKey XZIHFALIJOJWOV-UHFFFAOYSA-N
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