1.0 2010-04-08 22:09:02 UTC 2025-11-18 23:18:57 UTC FDB010259 Sodium n-alkylbenzenesulfonate It is used as a food additive . C6H5NaO3S 180.15 179.98570948 sodium benzenesulfonate sodium benzenesulfonate 8046-53-5 [Na+].[O-]S(=O)(=O)C1=CC=CC=C1 InChI=1S/C6H6O3S.Na/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1 MZSDGDXXBZSFTG-UHFFFAOYSA-M belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring. Benzenesulfonic acids and derivatives Organic compounds Benzenoids Benzene and substituted derivatives Benzenesulfonic acids and derivatives Aromatic homomonocyclic compounds 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organosulfonic acids Sulfonyls 1-sulfo,2-unsubstituted aromatic compound Aromatic homomonocyclic compound Arylsulfonic acid or derivatives Benzenesulfonate Benzenesulfonyl group Hydrocarbon derivative Organic alkali metal salt Organic oxide Organic oxygen compound Organic salt Organic sodium salt Organic sulfonic acid or derivatives Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Sulfonyl logp 1.00 ALOGPS logs -1.13 ALOGPS solubility 1.32e+01 g/l ALOGPS logp 1.15 ChemAxon pka_strongest_acidic -2.4 ChemAxon iupac sodium benzenesulfonate ChemAxon average_mass 180.15 ChemAxon mono_mass 179.98570948 ChemAxon smiles [Na+].[O-]S(=O)(=O)C1=CC=CC=C1 ChemAxon formula C6H5NaO3S ChemAxon inchi InChI=1S/C6H6O3S.Na/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1 ChemAxon inchikey MZSDGDXXBZSFTG-UHFFFAOYSA-M ChemAxon polar_surface_area 57.2 ChemAxon refractivity 35.56 ChemAxon polarizability 13.88 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1224901 Specdb::MsMs 1224902 Specdb::MsMs 1224903 Specdb::MsMs 1340506 Specdb::MsMs 1340507 Specdb::MsMs 1340508