1.0 2016-05-19 02:38:52 UTC 2026-08-19 06:10:53 UTC Pyridaphenthion SmallMolecule Pyridaphenthion is an organic compound with the chemical formula $\text{C}_{14}\text{H}_{17}\text{N}_2\text{O}_4\text{PS}$ and an average molecular weight of 340.33 g/mol. Pyridaphenthion belongs to the thiophosphoric acid esters, a subclass of organic thiophosphoric acids and derivatives within the organic compounds. This substance has been identified in or released from six recorded sources across various sectors. Within the category of household cleaning and consumer products, it is associated with tobacco product cases, tobacco smoke filters, and perfumes used within soaps and detergents. In the realm of food, cookware, and food processing, the compound is linked to food preservation and the preparation of malt. Additionally, it has been found in building and construction materials, specifically in tents or canopies. C14H17N2O4PS 340.33 340.064665207 O,O-diethyl O-6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl phosphorothioate pyridaphenthion 119-12-0 CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C1=CC=CC=C1 InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3 CXJSOEPQXUCJSA-UHFFFAOYSA-N Organic compounds Organic acids and derivatives Organic thiophosphoric acids and derivatives Thiophosphoric acid esters Aryl thiophosphates Azacyclic compounds Benzene and substituted derivatives Heteroaromatic compounds Hydrocarbon derivatives Lactams Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Pyridazinones Thiophosphate triesters Aromatic heteromonocyclic compound Aryl thiophosphate Azacycle Benzenoid Heteroaromatic compound Hydrocarbon derivative Lactam Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridazine Pyridazinone Thiophosphate triester Aromatic heteromonocyclic compounds Organophosphorus insecticides organic thiophosphate organothiophosphate insecticide pyridazinone Detected and Not Quantified logp 3.3 logp 3.33 ALOGPS logs -4.77 ALOGPS solubility 5.74e-03 g/l ALOGPS logp 3.19 ChemAxon pka_strongest_basic -7.7 ChemAxon iupac O,O-diethyl O-6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl phosphorothioate ChemAxon average_mass 340.33 ChemAxon mono_mass 340.064665207 ChemAxon smiles CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C1=CC=CC=C1 ChemAxon formula C14H17N2O4PS ChemAxon inchi InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3 ChemAxon inchikey CXJSOEPQXUCJSA-UHFFFAOYSA-N ChemAxon polar_surface_area 60.36 ChemAxon refractivity 89.17 ChemAxon polarizability 33.25 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72268eb2d8> 8381 8078