1.0 2016-05-19 04:45:36 UTC 2026-04-05 14:15:41 UTC 4,4'-Diamino-2,2'-stilbenedisulfonic acid SmallMolecule 4,4'-Diamino-2,2'-stilbenedisulfonic acid belongs to the sulfonated stilbenes, a subclass of stilbenes within the organic compounds. This compound, which is categorized under the superclass of phenylpropanoids and polyketides, has the chemical formula C14H14N2O6S2 and an average molecular weight of 370.39 g/mol. In industrial applications, it is utilized as a brightener. The substance has been identified in 20 recorded sources across several sectors. Within drinking water and water supply systems, it is found in tap water, bottled water, desalinated water, and general drinking water. It is present in aquatic systems and sediments, including seawater, freshwater, surface water, and groundwater. In the context of wastewater, sanitation, and biosolids, it appears in industrial wastewater, mine wastewater, unspecified wastewater, and wastewater treatment effluent. Additionally, the compound is found in appliances and HVAC systems, specifically in water heaters and water coolers, as well as in marine, shipping, and aquaculture sources such as bilge water and ballast water. It is also recorded in irrigation water used for agriculture and land management, among three other sectors. Recorded exposure routes for this compound include oral, inhalation, and touch. PMT 4,4'-Diaminostilbene-2,2'-disulfonic acid 4,4'-diaminostilbene-2,2'-disulphonic acid C14H14N2O6S2 370.39 370.029328527 5-amino-2-[2-(4-amino-2-sulfophenyl)ethenyl]benzene-1-sulfonic acid 5-amino-2-[2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid 81-11-8 NC1=CC=C(C=CC2=CC=C(N)C=C2S(O)(=O)=O)C(=C1)S(O)(=O)=O InChI=1S/C14H14N2O6S2/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22) REJHVSOVQBJEBF-UHFFFAOYSA-N Organic compounds Phenylpropanoids and polyketides Stilbenes Sulfonated stilbenes Sulfonated stilbenes 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Benzenesulfonic acids and derivatives Benzenesulfonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Organosulfonic acids Primary amines Styrenes Sulfonyls 1-sulfo,2-unsubstituted aromatic compound Amine Aniline or substituted anilines Aromatic homomonocyclic compound Arylsulfonic acid or derivatives Benzenesulfonate Benzenesulfonyl group Benzenoid Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organonitrogen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Primary amine Styrene Sulfonated stilbene Sulfonyl Aromatic homomonocyclic compounds Detected and Not Quantified logp -1.82 ALOGPS logs -3.49 ALOGPS solubility 1.21e-01 g/l ALOGPS logp 0.57 ChemAxon pka_strongest_acidic -3.7 ChemAxon pka_strongest_basic 3.53 ChemAxon iupac 5-amino-2-[2-(4-amino-2-sulfophenyl)ethenyl]benzene-1-sulfonic acid ChemAxon average_mass 370.39 ChemAxon mono_mass 370.029328527 ChemAxon smiles NC1=CC=C(C=CC2=CC=C(N)C=C2S(O)(=O)=O)C(=C1)S(O)(=O)=O ChemAxon formula C14H14N2O6S2 ChemAxon inchi InChI=1S/C14H14N2O6S2/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22) ChemAxon inchikey REJHVSOVQBJEBF-UHFFFAOYSA-N ChemAxon polar_surface_area 160.78 ChemAxon refractivity 92.16 ChemAxon polarizability 35.25 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227229110> 6668