1.0 2016-06-03 12:53:14 UTC 2026-08-23 15:15:09 UTC 2,5-diaminobenzenesulphonic acid SmallMolecule 2,5-diaminobenzenesulphonic acid (C6H8N2O3S) is a chemical compound with an average molecular weight of 188.20 g/mol. 2,5-diaminobenzenesulphonic acid belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This substance has been identified in or released from 22 recorded sources. Within drinking water and water supply, 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 sector of wastewater, sanitation, and biosolids, the compound is detected in industrial wastewater, mine wastewater, wastewater treatment effluent, and unspecified wastewater. Additionally, it is associated with appliances, HVAC, and refrigerants, specifically water heaters and water coolers. It is also found in marine, shipping, and aquaculture sources such as bilge water and ballast water. Furthermore, the compound is linked to electrical and electronic equipment, including superconducting magnets and superconducting coils, coils, and superconductive or hyperconductive conductors cables or transmission lines, as well as three other sectors. Recorded exposure routes for 2,5-diaminobenzenesulphonic acid include oral, inhalation, and touch. PMT C6H8N2O3S 188.2 188.0255633 2,5-diaminobenzene-1-sulfonic acid 2,5-diaminobenzenesulfonic acid 88-45-9 NC1=CC(=C(N)C=C1)S(O)(=O)=O InChI=1S/C6H8N2O3S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11) HEAHMJLHQCESBZ-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzenesulfonic acids and derivatives Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Benzenesulfonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Organosulfonic acids Primary amines Sulfonyls 1-sulfo,2-unsubstituted aromatic compound Amine Aniline or substituted anilines Aromatic homomonocyclic compound Arylsulfonic acid or derivatives Benzenesulfonate Benzenesulfonyl group Hydrocarbon derivative 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 Sulfonyl Aromatic homomonocyclic compounds Detected and Not Quantified logp -1 logp -1.73 ALOGPS logs -1.13 ALOGPS solubility 1.40e+01 g/l ALOGPS logp -0.74 ChemAxon pka_strongest_acidic -5 ChemAxon pka_strongest_basic 4.98 ChemAxon iupac 2,5-diaminobenzene-1-sulfonic acid ChemAxon average_mass 188.2 ChemAxon mono_mass 188.0255633 ChemAxon smiles NC1=CC(=C(N)C=C1)S(O)(=O)=O ChemAxon formula C6H8N2O3S ChemAxon inchi InChI=1S/C6H8N2O3S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11) ChemAxon inchikey HEAHMJLHQCESBZ-UHFFFAOYSA-N ChemAxon polar_surface_area 106.41 ChemAxon refractivity 46.08 ChemAxon polarizability 16.96 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f722297d998> 66617 59984