1.0 2010-04-08 22:12:15 UTC 2019-11-26 03:12:46 UTC FDB016114 1,3,5-Trichloro-(2-methylsulfonyl)benzene Isolated from lettuce, potatoes and soil. 1,3,5-Trichloro-(2-methylsulfonyl)benzene is found in alcoholic beverages, green vegetables, and potato. 1,3,5-Trichloro-(2-methylsulfonyl)benzene C7H5Cl3O2S 259.537 257.907583215 1,3,5-trichloro-2-methanesulfonylbenzene 1,3,5-trichloro-2-methanesulfonylbenzene 89692-93-3 CS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl InChI=1S/C7H5Cl3O2S/c1-13(11,12)7-5(9)2-4(8)3-6(7)10/h2-3H,1H3 NOSWATRCDIPOON-UHFFFAOYSA-N belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group. Benzenesulfonyl compounds Organic compounds Benzenoids Benzene and substituted derivatives Benzenesulfonyl compounds Aromatic homomonocyclic compounds Aryl chlorides Chlorobenzenes Hydrocarbon derivatives Organic oxides Organochlorides Sulfones Aromatic homomonocyclic compound Aryl chloride Aryl halide Benzenesulfonyl group Chlorobenzene Halobenzene Hydrocarbon derivative Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organosulfur compound Sulfone Sulfonyl logp 2.97 ALOGPS logs -3.87 ALOGPS solubility 3.47e-02 g/l ALOGPS logp 2.63 ChemAxon pka_strongest_acidic 19.53 ChemAxon iupac 1,3,5-trichloro-2-methanesulfonylbenzene ChemAxon average_mass 259.537 ChemAxon mono_mass 257.907583215 ChemAxon smiles CS(=O)(=O)C1=C(Cl)C=C(Cl)C=C1Cl ChemAxon formula C7H5Cl3O2S ChemAxon inchi InChI=1S/C7H5Cl3O2S/c1-13(11,12)7-5(9)2-4(8)3-6(7)10/h2-3H,1H3 ChemAxon inchikey NOSWATRCDIPOON-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 54.48 ChemAxon polarizability 21.67 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19695 Specdb::CMs 163950 Specdb::MsMs 78897 Specdb::MsMs 78898 Specdb::MsMs 78899 Specdb::MsMs 139377 Specdb::MsMs 139378 Specdb::MsMs 139379 Specdb::MsMs 2381702 Specdb::MsMs 2381703 Specdb::MsMs 2381704 Specdb::MsMs 2581032 Specdb::MsMs 2581033 Specdb::MsMs 2581034 HMDB37120 #<Reference:0x000055ce304a3c48> Alcoholic beverages Unknown generic Green vegetables Unknown generic Potato Type 1 specific Solanum tuberosum 4113