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CHEBI:41239 - 3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonic acid

ChEBI IDCHEBI:41239
ChEBI Name3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonic acid
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC10H11NO3S3
Net Charge0
Average Mass289.403
Monoisotopic Mass288.99011
SMILES[H]OS(=O)(=O)C([H])([H])C([H])([H])C([H])([H])Sc1nc2c([H])c([H])c([H])c([H])c2s1
InChIInChI=1S/C10H11NO3S3/c12-17(13,14)7-3-6-15-10-11-8-4-1-2-5-9(8)16-10/h1-2,4-5H,3,6-7H2,(H,12,13,14)
InChIKeyXBNHRNFODJOFRU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonic acid (CHEBI:41239) is a benzothiazoles (CHEBI:37947)
3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonic acid (CHEBI:41239) is a organosulfonic acid (CHEBI:33551)
Synonyms  Source
3-(2-BENZOTHIAZOLYLTHIO)-1-PROPANESULFONIC ACIDPDBeChem
3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonic acidPDBeChem
Manual XrefsDatabases
BTSPDBeChem