1.0 2010-04-08 22:09:28 UTC 2019-11-26 03:04:35 UTC FDB011117 5-Methylthiazole Food flavouring ingredient. 5-Methylthiazole is found in tea. 5-Methyl-1,3-thiazole 5-Methyl-thiazole Thiazole, 5-methyl- C4H5NS 99.154 99.014269855 5-methyl-1,3-thiazole 5-methyl-1,3-thiazole 3581-89-3 CC1=CN=CS1 InChI=1S/C4H5NS/c1-4-2-5-3-6-4/h2-3H,1H3 RLYUNPNLXMSXAX-UHFFFAOYSA-N belongs to the class of organic compounds known as thiazoles. These are heterocyclic compounds containing a five-member aromatic ring made up of one sulfur atom, one nitrogen, and three carbon atoms. Thiazoles Organic compounds Organoheterocyclic compounds Azoles Thiazoles Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Thiazole logp 0.80 ALOGPS logs -1.50 ALOGPS solubility 3.17e+00 g/l ALOGPS logp 1.28 ChemAxon pka_strongest_basic 3.52 ChemAxon iupac 5-methyl-1,3-thiazole ChemAxon average_mass 99.154 ChemAxon mono_mass 99.014269855 ChemAxon smiles CC1=CN=CS1 ChemAxon formula C4H5NS ChemAxon inchi InChI=1S/C4H5NS/c1-4-2-5-3-6-4/h2-3H,1H3 ChemAxon inchikey RLYUNPNLXMSXAX-UHFFFAOYSA-N ChemAxon polar_surface_area 12.89 ChemAxon refractivity 26.32 ChemAxon polarizability 9.98 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 118138 Specdb::NmrOneD 118139 Specdb::NmrOneD 118140 Specdb::NmrOneD 118141 Specdb::NmrOneD 118142 Specdb::NmrOneD 118143 Specdb::NmrOneD 118144 Specdb::NmrOneD 118145 Specdb::NmrOneD 118146 Specdb::NmrOneD 118147 Specdb::NmrOneD 118148 Specdb::NmrOneD 118149 Specdb::NmrOneD 118150 Specdb::NmrOneD 118151 Specdb::NmrOneD 118152 Specdb::NmrOneD 118153 Specdb::NmrOneD 118154 Specdb::NmrOneD 118155 Specdb::NmrOneD 118156 Specdb::NmrOneD 118157 Specdb::CMs 23922 Specdb::CMs 165610 Specdb::MsIr 5962 Specdb::MsIr 5963 Specdb::MsMs 70662 Specdb::MsMs 70663 Specdb::MsMs 70664 Specdb::MsMs 129195 Specdb::MsMs 129196 Specdb::MsMs 129197 Specdb::MsMs 2419356 Specdb::MsMs 2419357 Specdb::MsMs 2419358 Specdb::MsMs 2542940 Specdb::MsMs 2542941 Specdb::MsMs 2542942 HMDB33117 #<Reference:0x000055ce33047de0> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442