1.0 2016-05-22 04:46:01 UTC 2026-05-20 19:39:42 UTC Phenol Red sodium salt SmallMolecule Phenol Red sodium salt belongs to the benzofuranones, a subclass of benzofurans within the organic compounds. It is an organoheterocyclic compound with the formula C19H13NaO5S and an average molecular weight of 376.36 g/mol. Phenolic Antioxidant C19H13NaO5S 376.36 376.03813897 sodium 4-[3-(4-hydroxyphenyl)-1,1-dioxo-3H-2,1λ⁶-benzoxathiol-3-yl]benzen-1-olate sodium 4-[3-(4-hydroxyphenyl)-1,1-dioxo-2,1λ⁶-benzoxathiol-3-yl]benzenolate 34487-61-1 [Na+].OC1=CC=C(C=C1)C1(OS(=O)(=O)C2=CC=CC=C12)C1=CC=C([O-])C=C1 InChI=1S/C19H14O5S.Na/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19;/h1-12,20-21H;/q;+1/p-1 HKHYOKBQJILTEI-UHFFFAOYSA-M Organic compounds Organoheterocyclic compounds Benzofurans Benzofuranones Benzofuranones 1-hydroxy-2-unsubstituted benzenoids Benzoxathioles Hydrocarbon derivatives Organic oxides Organic sodium salts Organooxygen compounds Organosulfonic acid esters Oxacyclic compounds Phenoxides Phthalides 1-hydroxy-2-unsubstituted benzenoid Aromatic heteropolycyclic compound Benzenoid Benzofuranone Benzoxathiole Hydrocarbon derivative Monocyclic benzene moiety Organic alkali metal salt Organic oxide Organic oxygen compound Organic salt Organic sodium salt Organic sulfonic acid or derivatives Organooxygen compound Organosulfonic acid ester Organosulfonic acid or derivatives Oxacycle Phenol Phenoxide Phthalide Aromatic heteropolycyclic compounds Detected and Not Quantified logp 3.26 ALOGPS logs -4.62 ALOGPS solubility 9.07e-03 g/l ALOGPS logp 4.11 ChemAxon pka_strongest_acidic 9.16 ChemAxon pka_strongest_basic -6 ChemAxon iupac sodium 4-[3-(4-hydroxyphenyl)-1,1-dioxo-3H-2,1λ⁶-benzoxathiol-3-yl]benzen-1-olate ChemAxon average_mass 376.36 ChemAxon mono_mass 376.03813897 ChemAxon smiles [Na+].OC1=CC=C(C=C1)C1(OS(=O)(=O)C2=CC=CC=C12)C1=CC=C([O-])C=C1 ChemAxon formula C19H13NaO5S ChemAxon inchi InChI=1S/C19H14O5S.Na/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19;/h1-12,20-21H;/q;+1/p-1 ChemAxon inchikey HKHYOKBQJILTEI-UHFFFAOYSA-M ChemAxon polar_surface_area 86.66 ChemAxon refractivity 104.67 ChemAxon polarizability 34.45 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7224b97808> 23686673 106071