1.0 2016-06-03 13:20:18 UTC 2026-08-23 12:59:47 UTC 2-amino-5-nitrobenzenesulfonic acid SmallMolecule 2-amino-5-nitrobenzenesulfonic acid (C6H6N2O5S) is an organic compound with an average molecular weight of 218.18 g/mol. 2-amino-5-nitrobenzenesulfonic acid belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid has been identified in or released from two recorded sources: tobacco pipes found in household cleaning and consumer products, and ceilings within building and construction. C6H6N2O5S 218.18 217.999742475 2-amino-5-nitrobenzene-1-sulfonic acid 2-amino-5-nitrobenzenesulfonic acid 96-75-3 NC1=C(C=C(C=C1)N(=O)=O)S(O)(=O)=O InChI=1S/C6H6N2O5S/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13/h1-3H,7H2,(H,11,12,13) LTASFWDWBYFZQQ-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 Nitroaromatic compounds Nitrobenzenes Organic oxides Organic oxoazanium compounds Organopnictogen compounds Organosulfonic acids Primary amines Propargyl-type 1,3-dipolar organic compounds Sulfonyls 1-sulfo,2-unsubstituted aromatic compound Allyl-type 1,3-dipolar organic compound Amine Aniline or substituted anilines Aromatic homomonocyclic compound Arylsulfonic acid or derivatives Benzenesulfonate Benzenesulfonyl group C-nitro compound Hydrocarbon derivative Nitroaromatic compound Nitrobenzene Organic 1,3-dipolar compound Organic nitro compound Organic nitrogen compound Organic oxide Organic oxoazanium Organic oxygen compound Organic sulfonic acid or derivatives Organonitrogen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Primary amine Propargyl-type 1,3-dipolar organic compound Sulfonyl Aromatic homomonocyclic compounds C-nitro compound arenesulfonic acid Detected and Not Quantified logp 0.4 logp -1.31 ALOGPS logs -2.41 ALOGPS solubility 8.44e-01 g/l ALOGPS logp -2 ChemAxon pka_strongest_acidic -2.9 ChemAxon pka_strongest_basic -2.3 ChemAxon iupac 2-amino-5-nitrobenzene-1-sulfonic acid ChemAxon average_mass 218.18 ChemAxon mono_mass 217.999742475 ChemAxon smiles NC1=C(C=C(C=C1)N(=O)=O)S(O)(=O)=O ChemAxon formula C6H6N2O5S ChemAxon inchi InChI=1S/C6H6N2O5S/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13/h1-3H,7H2,(H,11,12,13) ChemAxon inchikey LTASFWDWBYFZQQ-UHFFFAOYSA-N ChemAxon polar_surface_area 126.21 ChemAxon refractivity 48.71 ChemAxon polarizability 17.92 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f722642cd00> 66786 60151