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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:27849 - toluene-4-sulfonic acid
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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
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Formula
C7H8O3S
Net Charge
0
Average Mass
172.20200
Monoisotopic Mass
172.01942
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
Manual Xrefs
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