1.0 2016-05-22 05:10:10 UTC 2026-08-19 04:53:03 UTC Suprofen SmallMolecule Suprofen is an organic compound with the formula C14H12O3S and an average molecular weight of 260.31 g/mol. Suprofen belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This compound is identified as an inhibitor of two protein targets: Prostaglandin G/H synthase 1 (PTGS1) and Prostaglandin G/H synthase 2 (PTGS2). It is found in or released from eight recorded sources across various sectors. These include antiinflammatory and antirheumatic products within the healthcare, pharmaceuticals, and veterinary products category, and food preservation within food, food processing, and cookware. Additionally, it is associated with electrical and electronic equipment, specifically X-ray tubes and electrically stimulated smoking devices. It is also found in household cleaning and consumer products, including soap detergents, bleaching agents, perfumes within detergents and soaps, and tobacco smoke filters. The recorded exposure route for suprofen is ophthalmic. C14H12O3S 260.308 260.05071494 2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid suprofen 40828-46-4 CC(C(O)=O)C1=CC=C(C=C1)C(=O)C1=CC=CS1 InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17) MDKGKXOCJGEUJW-UHFFFAOYSA-N Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aryl-phenylketones Aromatic monoterpenoids Benzoyl derivatives Carboxylic acids Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides Phenylpropanoic acids Thiophene carboxylic acids and derivatives 2-phenylpropanoic-acid Aromatic heteromonocyclic compound Aromatic monoterpenoid Aryl-phenylketone Benzenoid Benzoyl Carboxylic acid Carboxylic acid derivative Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Monocyclic monoterpenoid Monoterpenoid Organic oxide Organoheterocyclic compound P-cymene Thiophene Thiophene carboxylic acid or derivatives Aromatic heteromonocyclic compounds aromatic ketone monocarboxylic acid thiophenes Detected and Not Quantified Suprofen Action Pathway SMP0000101 Suprofen NSAID Action Pathway SMP0124582 Suprofen Drug Metabolism Action Pathway SMP0143305 logp 3.53 logp 3.16 ALOGPS logs -3.79 ALOGPS solubility 4.22e-02 g/l ALOGPS logp 3.53 ChemAxon pka_strongest_acidic 4.01 ChemAxon pka_strongest_basic -7.8 ChemAxon iupac 2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid ChemAxon average_mass 260.308 ChemAxon mono_mass 260.05071494 ChemAxon smiles CC(C(O)=O)C1=CC=C(C=C1)C(=O)C1=CC=CS1 ChemAxon formula C14H12O3S ChemAxon inchi InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17) ChemAxon inchikey MDKGKXOCJGEUJW-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 69.41 ChemAxon polarizability 26.84 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f722551f5b0> DB00870 5359 5166 BE0000017 BE0000262