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

Molecule SVG Image

Properties Simple | Detailed

Formula C10H6ClNO2S
IUPAC Name 5-chloro-4-thioxo-1h-quinoline-2-carboxylic acid
Molecular Mass 239.678 g·mol−1
Heat of Formation -124.5 ± 16.7 kJ·mol−1
Dipole Moment 7.01 ± 1.08 D
Volume 243.8 Å 3
Surface Area 228.57 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy 1.12 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-quinolinecarboxylic acid, 5-chloro-4-mercapto-
  • 5-chloro-4-sulfanylidene-1h-quinoline-2-carboxylic acid
  • 5-chloro-4-thioxo-1h-quinoline-2-carboxylic acid
  • 5-chloro-thiokynurenate
  • 5-chlorothiokynurenic acid
  • 5-cl-thio-kyna
CAS Number(s)
  • 136036-87-8
InChIKey BMBZHFGIBHDMCV-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S