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CHEBI:34598 - CBS 113A

Default Structure
ChEBI IDCHEBI:34598
ChEBI NameCBS 113A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC10H10N2OS.HCl
Net Charge0
Average Mass242.731
Monoisotopic Mass242.02806
SMILESCc1ccc(Nc2nccs2)c(O)c1.Cl
InChIInChI=1S/C10H10N2OS.ClH/c1-7-2-3-8(9(13)6-7)12-10-11-4-5-14-10;/h2-6,13H,1H3,(H,11,12);1H
InChIKeyOAQDENGCTUPZEL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
CBS 113A (CHEBI:34598) is a organic molecular entity (CHEBI:50860)
Synonym  Source
CBS 113AKEGG COMPOUND
Manual XrefsDatabases
C14081KEGG COMPOUND
Registry NumbersSources
CAS:110952-54-0KEGG COMPOUND