1.0 2010-04-08 22:14:36 UTC 2015-07-21 06:38:45 UTC FDB019803 (±)-2-Butylthiazolidine Flavouring ingredient C7H15NS 145.266 145.092520175 2-butyl-1,3-thiazolidine 2-butyl-1,3-thiazolidine CCCCC1NCCS1 InChI=1S/C7H15NS/c1-2-3-4-7-8-5-6-9-7/h7-8H,2-6H2,1H3 BOOIWYNDUXYILL-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 2.07 ALOGPS logs -1.53 ALOGPS solubility 4.26e+00 g/l ALOGPS logp 1.91 ChemAxon pka_strongest_basic 8.83 ChemAxon iupac 2-butyl-1,3-thiazolidine ChemAxon average_mass 145.266 ChemAxon mono_mass 145.092520175 ChemAxon smiles CCCCC1NCCS1 ChemAxon formula C7H15NS ChemAxon inchi InChI=1S/C7H15NS/c1-2-3-4-7-8-5-6-9-7/h7-8H,2-6H2,1H3 ChemAxon inchikey BOOIWYNDUXYILL-UHFFFAOYSA-N ChemAxon polar_surface_area 12.03 ChemAxon refractivity 43.41 ChemAxon polarizability 17.59 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21017 Specdb::CMs 146555 Specdb::MsIr 8672 Specdb::MsIr 8673 Specdb::MsMs 312793 Specdb::MsMs 312794 Specdb::MsMs 312795 Specdb::MsMs 358132 Specdb::MsMs 358133 Specdb::MsMs 358134 Specdb::MsMs 2777906 Specdb::MsMs 2777907 Specdb::MsMs 2777908 Specdb::MsMs 2901489 Specdb::MsMs 2901490 Specdb::MsMs 2901491 Specdb::NmrOneD 38342 Specdb::NmrOneD 38343 Specdb::NmrOneD 38344 Specdb::NmrOneD 38345 Specdb::NmrOneD 38346 Specdb::NmrOneD 38347 Specdb::NmrOneD 38348 Specdb::NmrOneD 38349 Specdb::NmrOneD 38350 Specdb::NmrOneD 38351 Specdb::NmrOneD 38352 Specdb::NmrOneD 38353 Specdb::NmrOneD 38354 Specdb::NmrOneD 38355 Specdb::NmrOneD 38356 Specdb::NmrOneD 38357 Specdb::NmrOneD 38358 Specdb::NmrOneD 38359 Specdb::NmrOneD 38360 Specdb::NmrOneD 38361 HMDB40116 #<Reference:0x000055ce3051b180>