1.0 2026-09-22 05:46:19 UTC 2026-09-22 05:46:19 UTC FDB117788 Pyridaben 2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloro-pyridazin-3-one 2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloropyridazin-3-one C19H25ClN2OS 364.933 364.137611829 2-tert-butyl-5-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-chloro-2,3-dihydropyridazin-3-one pyridaben CC(C)(C)N1N=CC(SCC2=CC=C(C=C2)C(C)(C)C)=C(Cl)C1=O InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3 DWFZBUWUXWZWKD-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. Phenylpropanes Organic compounds Benzenoids Benzene and substituted derivatives Phenylpropanes Aromatic heteromonocyclic compounds Alkylarylthioethers Aryl chlorides Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Lactams Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Pyridazinones Sulfenyl compounds Vinylogous thioesters Alkylarylthioether Aromatic heteromonocyclic compound Aryl chloride Aryl halide Aryl thioether Azacycle Heteroaromatic compound Hydrocarbon derivative Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Phenylpropane Pyridazine Pyridazinone Sulfenyl compound Thioether Vinylogous thioester Pesticides organochlorine acaricide organochlorine insecticide pyridazinone logp 5.52 ALOGPS logs -6.18 ALOGPS solubility 2.42e-04 g/l ALOGPS logp 5.2 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 2-tert-butyl-5-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-chloro-2,3-dihydropyridazin-3-one ChemAxon average_mass 364.933 ChemAxon mono_mass 364.137611829 ChemAxon smiles CC(C)(C)N1N=CC(SCC2=CC=C(C=C2)C(C)(C)C)=C(Cl)C1=O ChemAxon formula C19H25ClN2OS ChemAxon inchi InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3 ChemAxon inchikey DWFZBUWUXWZWKD-UHFFFAOYSA-N ChemAxon polar_surface_area 32.67 ChemAxon refractivity 105.53 ChemAxon polarizability 38.97 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1391 Specdb::NmrOneD 3603 Specdb::NmrOneD 3732 Specdb::CMs 103888 Specdb::CMs 120470 Specdb::MsMs 94968 Specdb::MsMs 94969 Specdb::MsMs 94970 Specdb::MsMs 159123 Specdb::MsMs 159124 Specdb::MsMs 159125 Specdb::MsMs 1480031 Specdb::MsMs 1480032 Specdb::MsMs 1480033 Specdb::MsMs 1480034 Specdb::MsMs 1480035 Specdb::MsMs 2242245 Specdb::MsMs 2243614 Specdb::MsMs 2244359 Specdb::MsMs 2245734 Specdb::MsMs 2246470 Specdb::MsMs 2247823 Specdb::MsMs 2248429 Specdb::MsMs 2249937 Specdb::MsMs 2250491 Specdb::MsMs 2251905