1.0 2010-04-08 22:14:35 UTC 2019-11-26 03:17:52 UTC FDB019787 2-Methyl-4-(1-methylethyl)thiazole Aroma component of yeast extract. 2-Methyl-4-(1-methylethyl)thiazole is found in mushrooms. 2-Methyl-4-(1-methylethyl)-thiazole 2-Methyl-4-(1-methylethyl)thiazole, 9CI 4-Isopropyl-2-methyl-1,3-thiazole 4-Isopropyl-2-methyl-thiazole 4-Isopropyl-2-methylthiazole Thiazole, 2-methyl-4-(1-methylethyl)- Thiazole, 4-isopropyl-2-methyl- C7H11NS 141.234 141.061220047 2-methyl-4-(propan-2-yl)-1,3-thiazole 4-isopropyl-2-methyl-1,3-thiazole 32272-52-9 CC(C)C1=CSC(C)=N1 InChI=1S/C7H11NS/c1-5(2)7-4-9-6(3)8-7/h4-5H,1-3H3 SRTOJEUVLKLAGK-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 2.81 ALOGPS logs -2.31 ALOGPS solubility 6.94e-01 g/l ALOGPS logp 2.13 ChemAxon pka_strongest_basic 3.29 ChemAxon iupac 2-methyl-4-(propan-2-yl)-1,3-thiazole ChemAxon average_mass 141.234 ChemAxon mono_mass 141.061220047 ChemAxon smiles CC(C)C1=CSC(C)=N1 ChemAxon formula C7H11NS ChemAxon inchi InChI=1S/C7H11NS/c1-5(2)7-4-9-6(3)8-7/h4-5H,1-3H3 ChemAxon inchikey SRTOJEUVLKLAGK-UHFFFAOYSA-N ChemAxon polar_surface_area 12.89 ChemAxon refractivity 39.5 ChemAxon polarizability 16.14 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8646 Specdb::MsIr 8647 Specdb::MsMs 178875 Specdb::MsMs 178876 Specdb::MsMs 178877 Specdb::MsMs 181200 Specdb::MsMs 181201 Specdb::MsMs 181202 Specdb::MsMs 2802769 Specdb::MsMs 2802770 Specdb::MsMs 2802771 Specdb::MsMs 2879105 Specdb::MsMs 2879106 Specdb::MsMs 2879107 Specdb::CMs 2804 Specdb::CMs 149324 Specdb::NmrOneD 281439 Specdb::NmrOneD 281440 Specdb::NmrOneD 281441 Specdb::NmrOneD 281442 Specdb::NmrOneD 281443 Specdb::NmrOneD 281444 Specdb::NmrOneD 281445 Specdb::NmrOneD 281446 Specdb::NmrOneD 281447 Specdb::NmrOneD 281448 Specdb::NmrOneD 281449 Specdb::NmrOneD 281450 Specdb::NmrOneD 281451 Specdb::NmrOneD 281452 Specdb::NmrOneD 281453 Specdb::NmrOneD 281454 Specdb::NmrOneD 281455 Specdb::NmrOneD 281456 Specdb::NmrOneD 281457 Specdb::NmrOneD 281458 HMDB40100 #<Reference:0x000055ce2f391658> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322