6-Mercapto-3-Pyridinecarboxylic Acid

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Properties Simple | Detailed

Formula C6H5NO2S+
IUPAC Name 6-thioxopyridine-3-carboxylic acid
Molecular Mass 155.174 g·mol−1
Heat of Formation -206.1 ± 16.7 kJ·mol−1
Dipole Moment 2.91 ± 1.08 D
Volume 169.62 Å 3
Surface Area 172.3 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -1.79 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,6-dihydro-6-thioxonicotinic acid
  • 6-mercaptonicotinic acid
  • 6-sulfanylidene-1h-pyridine-3-carboxylic acid
  • 6-thioxo-1h-pyridine-3-carboxylic acid
  • aj-333/25022012
CAS Number(s)
  • 17624-07-6
InChIKey JWWGTYCXARQFOT-UHFFFAOYSA-N
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