Molecular Identity
p-Toluenesulfonic acid
4-methylbenzenesulfonic acid
PubChem CID: 6101
Toluene-4-sulfonic acid is an arenesulfonic acid that is benzenesulfonic acid in which the hydrogen at position 4 is replaced by a methyl group. It is a member of toluenes and an arenesulfonic acid. It is a conjugate acid of a toluene-4-sulfonate.
2D Structure
Properties
C7H8O3S
Molecular Formula
172.20
Molecular Weight
g/mol
172.0194
Exact Mass
Da
1.7
XLogP
Drug-like (Lipinski: < 5)
62.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
206
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OIsomeric SMILES
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OSynonyms(20)
4-Methylbenzenesulfonic acidP-TOLUENESULFONIC ACID104-15-44-Toluenesulfonic acidp-Toluenesulphonic acidTosic acidToluene-4-sulfonic acidp-Tolylsulfonic acidTosylic acidToluenesulfonic acidBenzenesulfonic acid, 4-methyl-p-Methylbenzenesulfonic acidp-Methylphenylsulfonic acidEltesolMethylbenzenesulfonic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to p-Toluenesulfonic acid
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