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CHEBI:27849 - toluene-4-sulfonic acid

ChEBI IDCHEBI:27849
ChEBI Nametoluene-4-sulfonic acid
Stars
DefinitionAn arenesulfonic acid that is benzenesulfonic acid in which the hydrogen at position 4 is replaced by a methyl group.
Secondary ChEBI IDsCHEBI:9625, CHEBI:46028
Last Modified12 February 2015
DownloadsMolfile
FormulaC7H8O3S
Net Charge0
Average Mass172.205
Monoisotopic Mass172.01942
SMILESCc1ccc(S(=O)(=O)O)cc1
InChIInChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
InChIKeyJOXIMZWYDAKGHI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
toluene-4-sulfonic acid (CHEBI:27849) is a arenesulfonic acid (CHEBI:33555)
toluene-4-sulfonic acid (CHEBI:27849) is a toluenes (CHEBI:27024)
toluene-4-sulfonic acid (CHEBI:27849) is conjugate acid of toluene-4-sulfonate (CHEBI:27023)
Incoming Relation(s)
toluene-4-sulfonate (CHEBI:27023) is conjugate base of toluene-4-sulfonic acid (CHEBI:27849)
tosyl group (CHEBI:51094) is substituent group from toluene-4-sulfonic acid (CHEBI:27849)
IUPAC Name 
4-methylbenzenesulfonic acid
Synonyms  Source
Toluene-4-sulfonateKEGG COMPOUND
4-toluenesulfonic acidChemIDplus
p-methylbenzenesulfonic acidNIST Chemistry WebBook
PARA-TOLUENE SULFONATEPDBeChem
toluene-4-sulfonic acidNIST Chemistry WebBook
p-toluenesulphonic acidNIST Chemistry WebBook
Manual XrefsDatabases
C06677KEGG COMPOUND
TSUPDBeChem
DB03120DrugBank
Registry NumbersSources
Gmelin:3279Gmelin
Beilstein:472690Beilstein
CAS:104-15-4KEGG COMPOUND
CAS:104-15-4ChemIDplus
CAS:104-15-4NIST Chemistry WebBook