1.0 2010-04-08 22:14:35 UTC 2015-07-21 06:38:45 UTC FDB019801 2-Octyl-4-propylthiazole Claimed food uses are not well documented C14H25NS 239.42 239.170770495 2-octyl-4-propyl-1,3-thiazole 2-octyl-4-propyl-1,3-thiazole 96693-82-2 CCCCCCCCC1=NC(CCC)=CS1 InChI=1S/C14H25NS/c1-3-5-6-7-8-9-11-14-15-13(10-4-2)12-16-14/h12H,3-11H2,1-2H3 CPGDWBVMCYVDOC-UHFFFAOYSA-N belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. 2,4-disubstituted thiazoles are compounds containing a thiazole ring substituted at the positions 2 and 3. 2,4-disubstituted thiazoles Organic compounds Organoheterocyclic compounds Azoles Thiazoles Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds 2,4-disubstituted 1,3-thiazole Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound logp 6.26 ALOGPS logs -4.95 ALOGPS solubility 2.66e-03 g/l ALOGPS logp 5.4 ChemAxon pka_strongest_basic 3.23 ChemAxon iupac 2-octyl-4-propyl-1,3-thiazole ChemAxon average_mass 239.42 ChemAxon mono_mass 239.170770495 ChemAxon smiles CCCCCCCCC1=NC(CCC)=CS1 ChemAxon formula C14H25NS ChemAxon inchi InChI=1S/C14H25NS/c1-3-5-6-7-8-9-11-14-15-13(10-4-2)12-16-14/h12H,3-11H2,1-2H3 ChemAxon inchikey CPGDWBVMCYVDOC-UHFFFAOYSA-N ChemAxon polar_surface_area 12.89 ChemAxon refractivity 71.76 ChemAxon polarizability 30.87 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15875 Specdb::CMs 160227 Specdb::MsMs 301153 Specdb::MsMs 301154 Specdb::MsMs 301155 Specdb::MsMs 343609 Specdb::MsMs 343610 Specdb::MsMs 343611 Specdb::MsMs 2715460 Specdb::MsMs 2715461 Specdb::MsMs 2715462 Specdb::MsMs 2966562 Specdb::MsMs 2966563 Specdb::MsMs 2966564 HMDB40114 #<Reference:0x000055ce319b61d0>