1.0 2016-06-03 10:04:40 UTC 2026-08-19 23:15:06 UTC picosulfuric acid SmallMolecule picosulfuric acid is an organic compound with the formula C18H15NO8S2 and an average molecular weight of 437.44 g/mol. picosulfuric acid belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. This compound is found in or released from four recorded sources: food preservation (Food, food processing & cookware), drugs for constipation (Healthcare, pharmaceuticals & veterinary products), electrically stimulated smoking devices (Electrical & Electronic Equipment), and non electric simulated smoking devices (Household cleaning & consumer products). The recorded exposure route for this substance is oral. C18H15NO8S2 437.44 437.023908795 {4-[(pyridin-2-yl)[4-(sulfooxy)phenyl]methyl]phenyl}oxidanesulfonic acid (4-{pyridin-2-yl[4-(sulfooxy)phenyl]methyl}phenyl)oxidanesulfonic acid 10040-34-3 OS(=O)(=O)OC1=CC=C(C=C1)C(C1=CC=C(OS(O)(=O)=O)C=C1)C1=CC=CC=N1 InChI=1S/C18H15NO8S2/c20-28(21,22)26-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)27-29(23,24)25/h1-12,18H,(H,20,21,22)(H,23,24,25) UJIDKYTZIQTXPM-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Diphenylmethanes Diphenylmethanes Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Phenoxy compounds Phenylsulfates Pyridines and derivatives Sulfuric acid monoesters Aromatic heteromonocyclic compound Arylsulfate Azacycle Diphenylmethane Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfuric acid or derivatives Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenoxy compound Phenylsulfate Pyridine Sulfate-ester Sulfuric acid ester Sulfuric acid monoester Aromatic heteromonocyclic compounds Detected and Not Quantified Picosulfuric acid Drug Metabolism Action Pathway SMP0144391 logp -1.5 logp -0.05 ALOGPS logs -4.37 ALOGPS solubility 1.85e-02 g/l ALOGPS logp -1.5 ChemAxon pka_strongest_acidic -2.5 ChemAxon pka_strongest_basic 4.08 ChemAxon iupac {4-[(pyridin-2-yl)[4-(sulfooxy)phenyl]methyl]phenyl}oxidanesulfonic acid ChemAxon average_mass 437.44 ChemAxon mono_mass 437.023908795 ChemAxon smiles OS(=O)(=O)OC1=CC=C(C=C1)C(C1=CC=C(OS(O)(=O)=O)C=C1)C1=CC=CC=N1 ChemAxon formula C18H15NO8S2 ChemAxon inchi InChI=1S/C18H15NO8S2/c20-28(21,22)26-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)27-29(23,24)25/h1-12,18H,(H,20,21,22)(H,23,24,25) ChemAxon inchikey UJIDKYTZIQTXPM-UHFFFAOYSA-N ChemAxon polar_surface_area 140.09 ChemAxon refractivity 101.83 ChemAxon polarizability 40.3 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 7 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3baf13e920> DB09268 5243 5053