Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 11708564Generated: November 2, 2026

3-Pyridinecarboxylic acid, 2-[(3-methylphenyl)thio]-

https://huagongshe.com/en/chemical/11708564

3-Pyridinecarboxylic acid, 2-[(3-methylphenyl)thio]- molecular structure

Identifiers & Physical Properties

CAS No.889879-78-1
Molecular formulaC13H11NO2S
Average molar mass245.3 g/mol
Monoisotopic mass245.05104977 g/mol
SMILESCc1cccc(Sc2ncccc2C(=O)O)c1
InChIKeyQRPFDWMTBQSPHV-UHFFFAOYSA-N
PubChem CID11708564
DTXSIDDTXSID60470947

Chemical & Physical Properties

XLogP3.1
Topological polar surface area75.5
Hydrogen bond donors1
Hydrogen bond acceptors4
Rotatable bonds3
Heavy atoms17
Formal charge0
Complexity272