1.0 2016-05-19 04:49:24 UTC 2026-08-24 10:08:56 UTC 2-Amino-5-methylbenzenesulfonic acid SmallMolecule 2-Amino-5-methylbenzenesulfonic acid is an organic compound with the formula C7H9NO3S and an average molecular weight of 187.21 g/mol. 2-Amino-5-methylbenzenesulfonic 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 27 recorded sources across various sectors. Within the aquatic systems and sediments sector, it is found in groundwater, surface water, seawater, and freshwater. It is also present in drinking water and water supply sources, including tap water, bottled water, desalinated water, and drinking water. In the wastewater, sanitation, and biosolids sector, it appears in industrial wastewater, mine wastewater, wastewater treatment effluent, and unspecified wastewater. Other recorded sources include marine, shipping, and aquaculture sectors, specifically ballast water and bilge water, as well as appliances, HVAC, and refrigerants such as water heaters and water coolers. Additionally, it is associated with electrical and electronic equipment, including electrodes, discharge lamps, cores yokes or armatures, auxiliary devices, and conductors or conductive bodies characterised by the conductive materials. Recorded exposure routes for this compound include oral, inhalation, and touch. PMT 2-amino-5-methylbenzene-1-sulfonic acid 4-aminotoluene-3-sulfonic acid m-Toluenesulfonic acid, 6-amino- C7H9NO3S 187.21 187.030314328 2-amino-5-methylbenzene-1-sulfonic acid 2-amino-5-methylbenzenesulfonic acid 88-44-8 CC1=CC(=C(N)C=C1)S(O)(=O)=O InChI=1S/C7H9NO3S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11) LTPSRQRIPCVMKQ-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzenesulfonic acids and derivatives Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Aminotoluenes Aniline and substituted anilines Benzenesulfonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Organosulfonic acids Primary amines Sulfonyls 1-sulfo,2-unsubstituted aromatic compound Amine Aminotoluene 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 Toluene Aromatic homomonocyclic compounds Detected and Not Quantified logp 0.9 logp -1.38 ALOGPS logs -1.42 ALOGPS solubility 7.17e+00 g/l ALOGPS logp 0.62 ChemAxon pka_strongest_acidic -3.5 ChemAxon pka_strongest_basic 2.72 ChemAxon iupac 2-amino-5-methylbenzene-1-sulfonic acid ChemAxon average_mass 187.21 ChemAxon mono_mass 187.030314328 ChemAxon smiles CC1=CC(=C(N)C=C1)S(O)(=O)=O ChemAxon formula C7H9NO3S ChemAxon inchi InChI=1S/C7H9NO3S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11) ChemAxon inchikey LTPSRQRIPCVMKQ-UHFFFAOYSA-N ChemAxon polar_surface_area 80.39 ChemAxon refractivity 46.42 ChemAxon polarizability 17.67 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bb01a28c0> 6934 6668