2-Mercaptonicotinic Acid

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Properties Simple | Detailed

Formula C6H5NO2S+
IUPAC Name 2-thioxopyridine-3-carboxylic acid
Molecular Mass 155.174 g·mol−1
Heat of Formation -186.7 ± 16.7 kJ·mol−1
Dipole Moment 6.56 ± 1.08 D
Volume 169.0 Å 3
Surface Area 170.72 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
Synonyms
  • 2-mercapto-nicotinic acid
  • 2-mercaptopyridine-3-carboxylic acid
  • 2-sulfanylidene-1h-pyridine-3-carboxylic acid
  • 2-sulfanylnicotinic acid
  • 2-thioxo-1h-pyridine-3-carboxylic acid
  • 3-pyridinecarboxylic acid, 1,2-dihydro-2-thioxo-
  • aj-333/25022066
InChIKey WYKHFQKONWMWQM-UHFFFAOYSA-N
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