1.0 2010-04-08 22:15:22 UTC 2025-11-19 02:34:44 UTC FDB020960 (E)-Raphanusanin Isolated from Raphanus sativus variety hortensis f. gigantissimus. (E)-Raphanusanin is found in brassicas. C6H9NS2 159.272 159.017640673 (3Z)-3-[(methylsulfanyl)methylidene]pyrrolidine-2-thione (3Z)-3-[(methylsulfanyl)methylidene]pyrrolidine-2-thione 128463-44-5 CS\C=C1\CCNC1=S InChI=1S/C6H9NS2/c1-9-4-5-2-3-7-6(5)8/h4H,2-3H2,1H3,(H,7,8)/b5-4- BVYUPEKENRMVJK-PLNGDYQASA-N belongs to the class of organic compounds known as thiolactams. These are cyclic thioamides, obtained by replacing the oxygen atom from a lactam ring with sulfur. Thiolactams Organic compounds Organoheterocyclic compounds Thiolactams Aliphatic heteromonocyclic compounds Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Pyrrolidines Sulfenyl compounds Thiocarbonyl compounds Thioenol ethers Aliphatic heteromonocyclic compound Azacycle Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Organosulfur compound Pyrrolidine Sulfenyl compound Thiocarbonyl group Thioenolether Thiolactam logp 0.84 ALOGPS logs -2.78 ALOGPS solubility 2.64e-01 g/l ALOGPS logp 0.99 ChemAxon pka_strongest_acidic 12.11 ChemAxon pka_strongest_basic -3 ChemAxon iupac (3Z)-3-[(methylsulfanyl)methylidene]pyrrolidine-2-thione ChemAxon average_mass 159.272 ChemAxon mono_mass 159.017640673 ChemAxon smiles CS\C=C1\CCNC1=S ChemAxon formula C6H9NS2 ChemAxon inchi InChI=1S/C6H9NS2/c1-9-4-5-2-3-7-6(5)8/h4H,2-3H2,1H3,(H,7,8)/b5-4- ChemAxon inchikey BVYUPEKENRMVJK-PLNGDYQASA-N ChemAxon polar_surface_area 12.03 ChemAxon refractivity 47.48 ChemAxon polarizability 16.81 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22200 Specdb::CMs 151479 Specdb::MsMs 315277 Specdb::MsMs 315278 Specdb::MsMs 315279 Specdb::MsMs 361216 Specdb::MsMs 361217 Specdb::MsMs 361218 Specdb::MsMs 2433496 Specdb::MsMs 2433497 Specdb::MsMs 2433498 Specdb::MsMs 2504687 Specdb::MsMs 2504688 Specdb::MsMs 2504689 Specdb::MsIr 9143 Specdb::MsIr 9144 Specdb::MsIr 9145 HMDB0041083 Brassicas Unknown generic 3705