CHEBI:27849 - toluene-4-sulfonic acid

Main ChEBI Ontology Automatic Xrefs
ChEBI Name toluene-4-sulfonic acid
ChEBI ID CHEBI:27849
Definition An arenesulfonic acid that is benzenesulfonic acid in which the hydrogen at position 4 is replaced by a methyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:46028, CHEBI:9625
Supplier Information
Save molfile Download Molfile
more structures >>
Formula C7H8O3S
Net Charge 0
Average Mass 172.20200
InChI InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
InChIKey JOXIMZWYDAKGHI-UHFFFAOYSA-N
SMILES Cc1ccc(cc1)S(O)(=O)=O
ChEBI Ontology
Outgoing 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 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 Sources
4-toluenesulfonic acid ChemIDplus
p-methylbenzenesulfonic acid NIST Chemistry WebBook
p-methylphenylsulfonic acid NIST Chemistry WebBook
p-toluenesulfonic acid ChEBI
p-toluenesulphonic acid NIST Chemistry WebBook
p-tolylsulfonic acid NIST Chemistry WebBook
PARA-TOLUENE SULFONATE PDBeChem
Toluen-4-sulfonsäure ChEBI
Toluene-4-sulfonate KEGG COMPOUND
toluene-4-sulfonic acid NIST Chemistry WebBook
tosic acid ChEBI
Tosylate KEGG COMPOUND
tosylic acid NIST Chemistry WebBook
Database Links Databases
C06677 KEGG COMPOUND
DB03120 DrugBank
TSU PDBeChem
View more database links
Registry Numbers Types Sources
104-15-4 CAS Registry Number KEGG COMPOUND
104-15-4 CAS Registry Number NIST Chemistry WebBook
104-15-4 CAS Registry Number ChemIDplus
3279 Gmelin Registry Number Gmelin
472690 Beilstein Registry Number Beilstein
Last Modified
12 February 2015