Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
JOXIMZWYDAKGHI-UHFFFAOYSA-M- Molecular formula
- C7H7O3S-
- Average molar mass
- 171.2 g/mol
- Monoisotopic mass
- 171.01213866
Overview
Toluene-4-sulfonate is an arenesulfonate oxoanion that is the conjugate base of toluene-4-sulfonic acid. It is a conjugate base of a toluene-4-sulfonic acid.
Names & identifiers
- Preferred name
- p-Toluenesulfonate
- IUPAC
- 4-methylbenzenesulfonate
- English name
- 4-toluene sulfonate
- Molecular formula
- C7H7O3S
- Molecular weight
- 0
Names & synonyms
4-Toluene sulfonate16722-51-3p-ToluenesulfonateRefChem:9284724-MethylbenzenesulfonatetosylateToluene-4-sulfonate4-Toluenesulfonatep-Toluene sulfonate4-toluenesulphonate4-Toluene sulfonic acidmonotosylate
Show more names
p-Methylbenzenesulfonate4-Methylbenzenesulfonic acid anion
p-toluensulfonatep-toluenesulphonatepara-toluenesulfonateracemic tosylatep-toluene-sulfonatep-toluene sulphonatep-toluene-sulphonateparatoluene sulfonate
Database identifiers
- CAS
16722-51-3- PubChem CID
- 85570
- DTXSID
DTXSID7045075- ChEBI
CHEBI:27023- Nikkaji
- J215.715B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 65.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- -1
- Complexity
- 193
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Melting point
- 267 · 267-268 °C
- Indirect Additives used in Food Contact Substances
- TOLUENESULFONATE, P-, ION
Chemistry & industry
Additional notes
DefinitionChEBI: An arenesulfonate oxoanion that is the conjugate base of toluene-4-sulfonic acid.
Related reactions
805 records
Linked notes
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