CHEBI:195067 - 2-(Phenylthio)nicotinic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2-(Phenylthio)nicotinic acid
ChEBI ID CHEBI:195067
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H9NO2S
Net Charge 0
Average Mass 231.270
Monoisotopic Mass 231.03540
InChI InChI=1S/C12H9NO2S/c14-12(15)10-7-4-8-13-11(10)16-9-5-2-1-3-6-9/h1-8H,(H,14,15)
InChIKey MGIDOIDQQMOYTH-UHFFFAOYSA-N
SMILES S(C=1N=CC=CC1C(O)=O)C2=CC=CC=C2
ChEBI Ontology
Outgoing 2-(Phenylthio)nicotinic acid (CHEBI:195067) is a aryl sulfide (CHEBI:35683)
IUPAC Name
2-phenylsulanylpyridine-3-carboxylic acid
Manual Xref Database
D95089 KEGG DRUG
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