1.0 2016-05-19 05:00:41 UTC 2026-08-23 14:31:22 UTC 3-Aminobenzenesulfonic acid SmallMolecule 3-Aminobenzenesulfonic acid (C6H8N2O2S) is an organic compound with an average molecular weight of 172.20 g/mol. 3-Aminobenzenesulfonic acid belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. The compound has been detected in or released from 22 recorded sources. Within aquatic systems and sediments, it is found in seawater, freshwater, surface water, and groundwater. It is also present in drinking water and water supply sources, including tap water, bottled water, desalinated water, and drinking water. In the sectors of wastewater, sanitation, and biosolids, it appears in wastewater, unspecified wastewater, industrial wastewater, mine wastewater, and wastewater treatment effluent. Additionally, the substance is associated with marine, shipping, and aquaculture sources, specifically bilge water and ballast water. It is found in appliances, HVAC, and refrigerants, including water heaters and water coolers, as well as in electrical and electronic equipment, such as electrodes, antennas, and conductors or conductive bodies characterised by the conductive materials. It is also present in three other sectors. Recorded routes of exposure for this compound include touch, oral, and inhalation. PMT C6H8N2O2S 172.2 172.03064868 3-aminobenzene-1-sulfonamide M-aminobenzenesulfonamide 121-47-1 NC1=CC(=CC=C1)S(N)(=O)=O InChI=1S/C6H8N2O2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10) JPVKCHIPRSQDKL-UHFFFAOYSA-N Detected and Not Quantified logp -0.2 logp -0.23 ALOGPS logs -1.25 ALOGPS solubility 9.76e+00 g/l ALOGPS logp -0.25 ChemAxon pka_strongest_acidic 10.31 ChemAxon pka_strongest_basic 2.27 ChemAxon iupac 3-aminobenzene-1-sulfonamide ChemAxon average_mass 172.2 ChemAxon mono_mass 172.03064868 ChemAxon smiles NC1=CC(=CC=C1)S(N)(=O)=O ChemAxon formula C6H8N2O2S ChemAxon inchi InChI=1S/C6H8N2O2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10) ChemAxon inchikey JPVKCHIPRSQDKL-UHFFFAOYSA-N ChemAxon polar_surface_area 86.18 ChemAxon refractivity 42.92 ChemAxon polarizability 16.1 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf347c8a0> 7377 8161