1.0 2010-04-08 22:04:58 UTC 2025-11-18 22:31:12 UTC FDB001426 2-Thioxothiazolidine-4-carboxylic acid 2-thioxothiazolidine-4-carboxylic acid is a member of the class of compounds known as thiolane-2-thiones. Thiolane-2-thiones are organic heterocyclic compounds containing a thiolane ring that carries a thione group at the 2-position. Thiolane is a five-membered saturated aliphatic ring made up of one sulfur atom and four carbon atoms. 2-thioxothiazolidine-4-carboxylic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 2-thioxothiazolidine-4-carboxylic acid can be found in radish, which makes 2-thioxothiazolidine-4-carboxylic acid a potential biomarker for the consumption of this food product. C5H6O2S2 162.23 161.980920816 5-sulfanylidenethiolane-3-carboxylic acid 5-sulfanylidenethiolane-3-carboxylic acid OC(=O)C1CSC(=S)C1 InChI=1S/C5H6O2S2/c6-5(7)3-1-4(8)9-2-3/h3H,1-2H2,(H,6,7) NLNFPVLIHKVQGW-UHFFFAOYSA-N belongs to the class of organic compounds known as thiolane-2-thiones. These are organic heterocyclic compounds containing a thiolane ring that carries a thione group at the 2-position. Thiolane is a five-membered saturated aliphatic ring made up of one sulfur atom and four carbon atoms. Thiolane-2-thiones Organic compounds Organoheterocyclic compounds Thiolanes Thiolane-2-thiones Aliphatic heteromonocyclic compounds Carbodithiolactones Carbonyl compounds Carboxylic acids Dithiocarboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic heteromonocyclic compound Carbodithiolactone Carbonyl group Carboxylic acid Carboxylic acid derivative Dithiocarboxylic acid ester Dithiocarboxylic acid or derivatives Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Organosulfur compound Thiolane-2-thione logp 0.34 ALOGPS logs -2.36 ALOGPS solubility 7.00e-01 g/l ALOGPS logp 1.07 ChemAxon pka_strongest_acidic 4.39 ChemAxon iupac 5-sulfanylidenethiolane-3-carboxylic acid ChemAxon average_mass 162.23 ChemAxon mono_mass 161.980920816 ChemAxon smiles OC(=O)C1CSC(=S)C1 ChemAxon formula C5H6O2S2 ChemAxon inchi InChI=1S/C5H6O2S2/c6-5(7)3-1-4(8)9-2-3/h3H,1-2H2,(H,6,7) ChemAxon inchikey NLNFPVLIHKVQGW-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 40.73 ChemAxon polarizability 15.39 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 74949 Specdb::MsMs 74950 Specdb::MsMs 74951 Specdb::MsMs 134475 Specdb::MsMs 134476 Specdb::MsMs 134477 Specdb::MsMs 3597337 Specdb::MsMs 3597338 Specdb::MsMs 3597339 Specdb::MsMs 3597340 Specdb::MsMs 3597341 Specdb::MsMs 3597342 Radish Type 1 specific Raphanus sativus 3726