1.0 2010-04-08 22:09:28 UTC 2019-11-26 03:04:35 UTC FDB011116 4-Methylthiazole 4-Methylthiazole is a flavouring ingredient. It is found in asparagus, cooked beef, cooked pork, pork liver, coffee, roast barley, roast peanut and cooked shrimp. 4-Methyl thiazole 4-Methyl-1,3-thiazole 4-methyl-5H-1,3-thiazole FEMA 3716 C4H5NS 99.154 99.014269855 4-methyl-1,3-thiazole 4-methylthiazole 693-95-8 CC1=CSC=N1 InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3 QMHIMXFNBOYPND-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 1,3-thiazole logp 1.29 ALOGPS logs -1.47 ALOGPS solubility 3.36e+00 g/l ALOGPS logp 0.76 ChemAxon pka_strongest_basic 2.74 ChemAxon iupac 4-methyl-1,3-thiazole ChemAxon average_mass 99.154 ChemAxon mono_mass 99.014269855 ChemAxon smiles CC1=CSC=N1 ChemAxon formula C4H5NS ChemAxon inchi InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3 ChemAxon inchikey QMHIMXFNBOYPND-UHFFFAOYSA-N ChemAxon polar_surface_area 12.89 ChemAxon refractivity 25.86 ChemAxon polarizability 10.1 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5960 Specdb::MsIr 5961 Specdb::CMs 2863 Specdb::CMs 28924 Specdb::CMs 101301 Specdb::CMs 146888 Specdb::MsMs 91350 Specdb::MsMs 91351 Specdb::MsMs 91352 Specdb::MsMs 154722 Specdb::MsMs 154723 Specdb::MsMs 154724 Specdb::MsMs 2669656 Specdb::MsMs 2669657 Specdb::MsMs 2669658 Specdb::MsMs 3009217 Specdb::MsMs 3009218 Specdb::MsMs 3009219 Specdb::NmrOneD 4520 Specdb::NmrOneD 4647 Specdb::NmrOneD 118118 Specdb::NmrOneD 118119 Specdb::NmrOneD 118120 Specdb::NmrOneD 118121 Specdb::NmrOneD 118122 Specdb::NmrOneD 118123 Specdb::NmrOneD 118124 Specdb::NmrOneD 118125 Specdb::NmrOneD 118126 Specdb::NmrOneD 118127 Specdb::NmrOneD 118128 Specdb::NmrOneD 118129 Specdb::NmrOneD 118130 Specdb::NmrOneD 118131 Specdb::NmrOneD 118132 Specdb::NmrOneD 118133 Specdb::NmrOneD 118134 Specdb::NmrOneD 118135 Specdb::NmrOneD 118136 Specdb::NmrOneD 118137 HMDB33116 35626 #<Reference:0x000055ce330ad6e0> Arabica coffee Type 1 specific Coffea arabica 13443 Asparagus Type 1 specific Asparagus officinalis 4686 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Coffee and coffee products Unknown generic Crustaceans Unknown generic 6657 Green vegetables Unknown generic Nuts Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390 green nutty roasted meat roastedmeat tomato vegetable