1.0 2010-04-08 22:15:22 UTC 2019-11-26 03:19:41 UTC FDB020962 Raphanusamide Isolated from Japanese radish Raphanus sativus. Raphanusamide is found in brassicas. Raphanusamide C6H9NOS 143.207 143.040484605 (3Z)-3-(methoxymethylidene)pyrrolidine-2-thione (3Z)-3-(methoxymethylidene)pyrrolidine-2-thione 104730-65-6 CO\C=C1\CCNC1=S InChI=1S/C6H9NOS/c1-8-4-5-2-3-7-6(5)9/h4H,2-3H2,1H3,(H,7,9)/b5-4- FXKRKZYGKOWUNE-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 Organooxygen compounds Organopnictogen compounds Pyrrolidines Thiocarbonyl compounds Aliphatic heteromonocyclic compound Azacycle Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Pyrrolidine Thiocarbonyl group Thiolactam logp 0.18 ALOGPS logs -1.93 ALOGPS solubility 1.70e+00 g/l ALOGPS melting_point Mp 150-151° logp 0.28 ChemAxon pka_strongest_acidic 11.7 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac (3Z)-3-(methoxymethylidene)pyrrolidine-2-thione ChemAxon average_mass 143.207 ChemAxon mono_mass 143.040484605 ChemAxon smiles CO\C=C1\CCNC1=S ChemAxon formula C6H9NOS ChemAxon inchi InChI=1S/C6H9NOS/c1-8-4-5-2-3-7-6(5)9/h4H,2-3H2,1H3,(H,7,9)/b5-4- ChemAxon inchikey FXKRKZYGKOWUNE-PLNGDYQASA-N ChemAxon polar_surface_area 21.26 ChemAxon refractivity 41.36 ChemAxon polarizability 14.88 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 9146 Specdb::MsIr 9147 Specdb::MsIr 9148 Specdb::NmrOneD 44702 Specdb::NmrOneD 44703 Specdb::NmrOneD 44704 Specdb::NmrOneD 44705 Specdb::NmrOneD 44706 Specdb::NmrOneD 44707 Specdb::NmrOneD 44708 Specdb::NmrOneD 44709 Specdb::NmrOneD 44710 Specdb::NmrOneD 44711 Specdb::NmrOneD 44712 Specdb::NmrOneD 44713 Specdb::NmrOneD 44714 Specdb::NmrOneD 44715 Specdb::NmrOneD 44716 Specdb::NmrOneD 44717 Specdb::NmrOneD 44718 Specdb::NmrOneD 44719 Specdb::NmrOneD 44720 Specdb::NmrOneD 44721 Specdb::CMs 11774 Specdb::CMs 162691 Specdb::MsMs 291994 Specdb::MsMs 291995 Specdb::MsMs 291996 Specdb::MsMs 332065 Specdb::MsMs 332066 Specdb::MsMs 332067 Specdb::MsMs 2440246 Specdb::MsMs 2440247 Specdb::MsMs 2440248 Specdb::MsMs 2525046 Specdb::MsMs 2525047 Specdb::MsMs 2525048 HMDB41084 #<Reference:0x000055ce31a7f260> Brassicas Unknown generic 3705