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

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ChEBI Name 2-(2-phenylethylthio)-3-pyridinecarboxylic acid
ChEBI ID CHEBI:93083
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C14H13NO2S
Net Charge 0
Average Mass 259.325
Monoisotopic Mass 259.06670
InChI InChI=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)
InChIKey UZERZZRWECLIKE-UHFFFAOYSA-N
SMILES C1=CC=C(C=C1)CCSC2=C(C=CC=N2)C(=O)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Xref Database
LSM-3378 LINCS
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