7-Chloro-4-Sulfanylquinoline-2-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C10H6ClNO2S
IUPAC Name 7-chloro-4-thioxo-1h-quinoline-2-carboxylic acid
Molecular Mass 239.678 g·mol−1
Heat of Formation -139.7 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 248.24 Å 3
Surface Area 234.64 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 1.01 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-quinolinecarboxylic acid, 7-chloro-4-mercapto-
  • 7-chloro-4-mercapto-2-quinolinecarboxylic acid
  • 7-chloro-4-sulfanylidene-1h-quinoline-2-carboxylic acid
  • 7-chloro-4-thioxo-1h-quinoline-2-carboxylic acid
  • 7-chloro-thiokynurenate
  • 7-chloro-thiokynurenic acid
  • 7-chlorothiokynurenic acid
  • 7-cl-thio-kyna
  • 7-cl-thio-kynurenate
CAS Number(s)
  • 135025-56-8
InChIKey KSCOHHUVHWAXLK-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