1.0 2016-05-19 03:52:27 UTC 2026-08-25 01:43:53 UTC Benzenesulfonyl isocyanate, 4-methyl- SmallMolecule Benzenesulfonyl isocyanate, 4-methyl- is an organic compound with the formula C8H7NO3S and an average molecular weight of 197.21 g/mol. Benzenesulfonyl isocyanate, 4-methyl- belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. This substance has been identified in or released from eight recorded sources. These sources include household items such as badges, as well as drinking water and water supply systems. Additionally, it is associated with electrical and electronic equipment, specifically antennas, amplifiers, relays, television systems, emergency protective devices, and one other source. Regarding human interaction, the recorded exposure route for this compound is oral. 4-methylbenzene-1-sulfonyl isocyanate 4-Methylbenzenesulfonyl isocyanate p-toluenesulphonyl isocyanate C8H7NO3S 197.21 197.014664263 4-methylbenzene-1-sulfonyl isocyanate 4-methylbenzenesulfonyl isocyanate 4083-64-1 CC1=CC=C(C=C1)S(=O)(=O)N=C=O InChI=1S/C8H7NO3S/c1-7-2-4-8(5-3-7)13(11,12)9-6-10/h2-5H,1H3 VLJQDHDVZJXNQL-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzenesulfonamides Benzenesulfonamides Benzenesulfonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Organosulfonic acids and derivatives Sulfonyl isocyanates Tosyl compounds Aromatic homomonocyclic compound Benzenesulfonamide Benzenesulfonyl group Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid or derivatives Organosulfur compound Sulfonyl Sulfonyl isocyanate Toluene Tosyl compound Aromatic homomonocyclic compounds Detected and Not Quantified logp 2.7 logp 1.25 ALOGPS logs -2.95 ALOGPS solubility 2.23e-01 g/l ALOGPS logp 1.39 ChemAxon iupac 4-methylbenzene-1-sulfonyl isocyanate ChemAxon average_mass 197.21 ChemAxon mono_mass 197.014664263 ChemAxon smiles CC1=CC=C(C=C1)S(=O)(=O)N=C=O ChemAxon formula C8H7NO3S ChemAxon inchi InChI=1S/C8H7NO3S/c1-7-2-4-8(5-3-7)13(11,12)9-6-10/h2-5H,1H3 ChemAxon inchikey VLJQDHDVZJXNQL-UHFFFAOYSA-N ChemAxon polar_surface_area 63.57 ChemAxon refractivity 46.6 ChemAxon polarizability 17.97 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bae9ca518> 77703 70104