1.0 2010-04-08 22:09:23 UTC 2019-11-26 03:04:23 UTC FDB010961 2,4-Dimethylthiazole Constituent of beef aroma. 2,4-Dimethylthiazole is found in tea and animal foods. 2, 4-Dimethylthiazole 2,4-Dimethyl-1,3-thiazole 2,4-Dimethyl-thiazole 2,4-Methylthiazole Thiazole, 2,4-dimethyl- C5H7NS 113.181 113.029919919 2,4-dimethyl-1,3-thiazole 2,4-dimethylthiazole 541-58-2 CC1=NC(C)=CS1 InChI=1S/C5H7NS/c1-4-3-7-5(2)6-4/h3H,1-2H3 OBSLLHNATPQFMJ-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 1.69 ALOGPS logs -1.73 ALOGPS solubility 2.10e+00 g/l ALOGPS logp 0.89 ChemAxon pka_strongest_basic 3.44 ChemAxon iupac 2,4-dimethyl-1,3-thiazole ChemAxon average_mass 113.181 ChemAxon mono_mass 113.029919919 ChemAxon smiles CC1=NC(C)=CS1 ChemAxon formula C5H7NS ChemAxon inchi InChI=1S/C5H7NS/c1-4-3-7-5(2)6-4/h3H,1-2H3 ChemAxon inchikey OBSLLHNATPQFMJ-UHFFFAOYSA-N ChemAxon polar_surface_area 12.89 ChemAxon refractivity 30.3 ChemAxon polarizability 12.27 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5862 Specdb::MsIr 5863 Specdb::NmrOneD 117178 Specdb::NmrOneD 117179 Specdb::NmrOneD 117180 Specdb::NmrOneD 117181 Specdb::NmrOneD 117182 Specdb::NmrOneD 117183 Specdb::NmrOneD 117184 Specdb::NmrOneD 117185 Specdb::NmrOneD 117186 Specdb::NmrOneD 117187 Specdb::NmrOneD 117188 Specdb::NmrOneD 117189 Specdb::NmrOneD 117190 Specdb::NmrOneD 117191 Specdb::NmrOneD 117192 Specdb::NmrOneD 117193 Specdb::NmrOneD 117194 Specdb::NmrOneD 117195 Specdb::NmrOneD 117196 Specdb::NmrOneD 117197 Specdb::CMs 25050 Specdb::CMs 26849 Specdb::CMs 28927 Specdb::CMs 101284 Specdb::CMs 101285 Specdb::CMs 161960 Specdb::MsMs 97779 Specdb::MsMs 97780 Specdb::MsMs 97781 Specdb::MsMs 162555 Specdb::MsMs 162556 Specdb::MsMs 162557 Specdb::MsMs 3044935 Specdb::MsMs 3044936 Specdb::MsMs 3044937 Specdb::MsMs 3094708 Specdb::MsMs 3094709 Specdb::MsMs 3094710 HMDB32974 #<Reference:0x000055ce31a9bbe0> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442 barley beefy coffee mold roasted rubber tea