1.0 2010-04-08 22:14:33 UTC 2015-07-21 06:38:17 UTC FDB019745 (±)-2-Propylthiazolidine Flavouring ingredient C6H13NS 131.239 131.076870111 2-propyl-1,3-thiazolidine 2-propyl-1,3-thiazolidine CCCC1NCCS1 InChI=1S/C6H13NS/c1-2-3-6-7-4-5-8-6/h6-7H,2-5H2,1H3 UDJJSTNTIKWCCW-UHFFFAOYSA-N belongs to the class of organic compounds known as thiazolidines. These are heterocyclic compounds containing a five-member saturated aliphatic ring with one nitrogen atom, one sulfur atom, three carbon atoms. Thiazolidines Organic compounds Organoheterocyclic compounds Azolidines Thiazolidines Aliphatic heteromonocyclic compounds Azacyclic compounds Dialkylamines Dialkylthioethers Hydrocarbon derivatives Organopnictogen compounds Thiohemiaminal derivatives Aliphatic heteromonocyclic compound Amine Azacycle Dialkylthioether Hemithioaminal Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Secondary aliphatic amine Secondary amine Thiazolidine Thioether logp 1.55 ALOGPS logs -1.05 ALOGPS solubility 1.16e+01 g/l ALOGPS logp 1.46 ChemAxon pka_strongest_basic 8.83 ChemAxon iupac 2-propyl-1,3-thiazolidine ChemAxon average_mass 131.239 ChemAxon mono_mass 131.076870111 ChemAxon smiles CCCC1NCCS1 ChemAxon formula C6H13NS ChemAxon inchi InChI=1S/C6H13NS/c1-2-3-6-7-4-5-8-6/h6-7H,2-5H2,1H3 ChemAxon inchikey UDJJSTNTIKWCCW-UHFFFAOYSA-N ChemAxon polar_surface_area 12.03 ChemAxon refractivity 38.81 ChemAxon polarizability 15.53 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20788 Specdb::CMs 145832 Specdb::MsIr 8569 Specdb::MsIr 8570 Specdb::NmrOneD 38242 Specdb::NmrOneD 38243 Specdb::NmrOneD 38244 Specdb::NmrOneD 38245 Specdb::NmrOneD 38246 Specdb::NmrOneD 38247 Specdb::NmrOneD 38248 Specdb::NmrOneD 38249 Specdb::NmrOneD 38250 Specdb::NmrOneD 38251 Specdb::NmrOneD 38252 Specdb::NmrOneD 38253 Specdb::NmrOneD 38254 Specdb::NmrOneD 38255 Specdb::NmrOneD 38256 Specdb::NmrOneD 38257 Specdb::NmrOneD 38258 Specdb::NmrOneD 38259 Specdb::NmrOneD 38260 Specdb::NmrOneD 38261 Specdb::MsMs 312310 Specdb::MsMs 312311 Specdb::MsMs 312312 Specdb::MsMs 357535 Specdb::MsMs 357536 Specdb::MsMs 357537 Specdb::MsMs 2676382 Specdb::MsMs 2676383 Specdb::MsMs 2676384 Specdb::MsMs 3029390 Specdb::MsMs 3029391 Specdb::MsMs 3029392 HMDB40058 #<Reference:0x000055ce2d7eb9f8>