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CHEBI:93083 - 2-(2-phenylethylthio)-3-pyridinecarboxylic acid

Default Structure
ChEBI IDCHEBI:93083
ChEBI Name2-(2-phenylethylthio)-3-pyridinecarboxylic acid
Stars
DownloadsMolfile
FormulaC14H13NO2S
Net Charge0
Average Mass259.330
Monoisotopic Mass259.06670
SMILESO=C(O)c1cccnc1SCCc1ccccc1
InChIInChI=1S/C14H13NO2S/c16-14(17)12-7-4-9-15-13(12)18-10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2,(H,16,17)
InChIKeyUZERZZRWECLIKE-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-(2-phenylethylthio)-3-pyridinecarboxylic acid (CHEBI:93083) is a aromatic carboxylic acid (CHEBI:33859)
2-(2-phenylethylthio)-3-pyridinecarboxylic acid (CHEBI:93083) is a pyridines (CHEBI:26421)
Manual XrefsDatabases
LSM-3378LINCS