CHEBI:34598 - CBS 113A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name CBS 113A
ChEBI ID CHEBI:34598
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C10H10N2OS.HCl
Net Charge 0
Average Mass 242.727
Monoisotopic Mass 242.02806
InChI InChI=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
InChIKey OAQDENGCTUPZEL-UHFFFAOYSA-N
SMILES Cl.Cc1ccc(Nc2nccs2)c(O)c1
ChEBI Ontology
Outgoing CBS 113A (CHEBI:34598) is a organic molecular entity (CHEBI:50860)
Synonym Source
CBS 113A KEGG COMPOUND
Manual Xref Database
C14081 KEGG COMPOUND
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Registry Number Type Source
110952-54-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014