EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:114848 - 4-[(2-chloro-5-thiazolyl)methylthio]benzoic acid

ChEBI IDCHEBI:114848
ChEBI Name4-[(2-chloro-5-thiazolyl)methylthio]benzoic acid
Stars
DownloadsMolfile
FormulaC11H8ClNO2S2
Net Charge0
Average Mass285.777
Monoisotopic Mass284.96850
SMILESO=C(O)c1ccc(SCc2cnc(Cl)s2)cc1
InChIInChI=1S/C11H8ClNO2S2/c12-11-13-5-9(17-11)6-16-8-3-1-7(2-4-8)10(14)15/h1-5H,6H2,(H,14,15)
InChIKeyGHMOISZEIKTQDE-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)
4-[(2-chloro-5-thiazolyl)methylthio]benzoic acid (CHEBI:114848) is a sulfanylbenzoic acid (CHEBI:59126)
Manual XrefsDatabases
LSM-26310LINCS