6-Mercaptonicotinic acid

C₆H₅NO₂SCAS 92823-43-3155.17 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₆H₅NO₂S
Molar mass: 155.17 g/mol
Exact mass: 155.0041 Da
logP: 1.44Crippen estimate
Polar surface area: 53.1 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

92823-43-3

SMILES

C1=CC(=S)NC=C1C(=O)O

InChIKey

JWWGTYCXARQFOT-UHFFFAOYSA-N

InChI

InChI=1S/C6H5NO2S/c8-6(9)4-1-2-5(10)7-3-4/h1-3H,(H,7,10)(H,8,9)

Weigh it out

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Work with 6-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

6-Aminonicotinic acid3167-49-558 % similar Terephthalic acid100-21-052 % similar Pyrrole-3-carboxylic acid931-03-350 % similar 4-Hydroxybenzoic acid99-96-748 % similar Tetrakis(4-carboxyphenyl)ethylene1351279-73-647 % similar [P-Terphenyl]-4,4''-dicarboxylic acid13653-84-447 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-247 % similar 2-Mercapto-5-benzimidazolecarboxylic acid58089-25-145 % similar

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

Same formula

4-Nitrobenzenethiol1849-36-1 (E)-2-(2-Nitroethenyl)thiophene34312-77-1 2-Mercaptonicotinic acid38521-46-9 2-(2-Nitroethenyl)thiophene874-84-0

Elsewhere

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