chempirical

2-Mercaptonicotinic acid

C6H5NO2SCAS 38521-46-9155.17 g/mol

Open in Covalent MOL file
OHONHS
Carboxylic acidThiol

Properties

Molecular formula
C6H5NO2S
Molar mass
155.17 g/mol
Exact mass
155.0041 Da
Melting point
270 °C
logP
1.07Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
38521-46-9
SMILES
O=C(O)c1cccnc1S
InChIKey
WYKHFQKONWMWQM-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO2S/c8-6(9)4-2-1-3-7-5(4)10/h1-3H,(H,7,10)(H,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 3-Pyridinecarboxylic acid, 1,2-dihydro-2-thioxo-
  • 1,2-Dihydro-2-thioxo-3-pyridinecarboxylic acid
  • 2-Mercaptopyridine-3-carboxylic acid
  • 3-Aza-2-thiosalicylic acid
  • 2-Mercapto-3-carboxypyridine
  • 2-Sulfanylpyridine-3-carboxylic acid
  • 2-Thioxo-1,2-dihydro-pyridine-3-carboxylic acid
  • 2-Sulfanylidene-1H-pyridine-3-carboxylic acid

Work with 2-Mercaptonicotinic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Quinolinic acid89-00-963 % similar 2-Hydroxynicotinic acid609-71-261 % similar 2-Chloronicotinic acid2942-59-859 % similar 2-Methylnicotinic acid3222-56-859 % similar 2-Fluoronicotinic acid393-55-559 % similar 2-Aminonicotinic acid5345-47-159 % similar 2-Phenyl-3-pyridinecarboxylic acid33421-39-557 % similar 2-Methoxynicotinic acid16498-81-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Nitrobenzenethiol1849-36-1 2-(2-Nitroethenyl)thiophene874-84-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook