1.0 2010-04-08 22:04:46 UTC 2019-11-26 02:55:38 UTC FDB000926 2-Ethyl-4-methylthiazole Organoleptic, occurring mainly in coffee aroma, also cooked uncured pork and fennel. Flavouring agent. 2-Ethyl-4-methylthiazole is found in coffee and coffee products, animal foods, and green vegetables. 2-Ethyl-4-methyl-1,3-thiazole 2-Ethyl-4-methyl-thiazole 4-methyl-2-ethylthiazole FEMA 3680 Thiazole, 2-ethyl-4-methyl- C6H9NS 127.207 127.045569983 2-ethyl-4-methyl-1,3-thiazole 2-ethyl-4-methyl-1,3-thiazole 15679-12-6 CCC1=NC(C)=CS1 InChI=1S/C6H9NS/c1-3-6-7-5(2)4-8-6/h4H,3H2,1-2H3 VGRVKVGGUPOCMT-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 Liquid logp 2.36 ALOGPS logs -1.97 ALOGPS solubility 1.36e+00 g/l ALOGPS logp 1.59 ChemAxon pka_strongest_basic 3.33 ChemAxon iupac 2-ethyl-4-methyl-1,3-thiazole ChemAxon average_mass 127.207 ChemAxon mono_mass 127.045569983 ChemAxon smiles CCC1=NC(C)=CS1 ChemAxon formula C6H9NS ChemAxon inchi InChI=1S/C6H9NS/c1-3-6-7-5(2)4-8-6/h4H,3H2,1-2H3 ChemAxon inchikey VGRVKVGGUPOCMT-UHFFFAOYSA-N ChemAxon polar_surface_area 12.89 ChemAxon refractivity 34.93 ChemAxon polarizability 14.22 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 3649 Specdb::MsIr 3650 Specdb::CMs 14031 Specdb::CMs 28930 Specdb::CMs 100433 Specdb::CMs 135967 Specdb::CMs 143701 Specdb::MsMs 60834 Specdb::MsMs 60835 Specdb::MsMs 60836 Specdb::MsMs 117252 Specdb::MsMs 117253 Specdb::MsMs 117254 Specdb::MsMs 3052691 Specdb::MsMs 3052692 Specdb::MsMs 3052693 Specdb::MsMs 3113843 Specdb::MsMs 3113844 Specdb::MsMs 3113845 Specdb::NmrOneD 159230 Specdb::NmrOneD 159231 Specdb::NmrOneD 159232 Specdb::NmrOneD 159233 Specdb::NmrOneD 159234 Specdb::NmrOneD 159235 Specdb::NmrOneD 159236 Specdb::NmrOneD 159237 Specdb::NmrOneD 159238 Specdb::NmrOneD 159239 Specdb::NmrOneD 159240 Specdb::NmrOneD 159241 Specdb::NmrOneD 159242 Specdb::NmrOneD 159243 Specdb::NmrOneD 159244 Specdb::NmrOneD 159245 Specdb::NmrOneD 159246 Specdb::NmrOneD 159247 Specdb::NmrOneD 159248 Specdb::NmrOneD 159249 HMDB29730 #<Reference:0x000055ce303a8e60> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Green vegetables Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390 green nutty pistachio