1.0 2010-04-08 22:08:08 UTC 2019-11-26 03:02:46 UTC FDB008546 2-(2-Methylpropyl)thiazole Tomato volatile and flavouring ingredient. Liq. with tomato leaf odour. 2-(2-Methylpropyl)thiazole is found in garden tomato. 2-(2-Methylpropyl) thiazole 2-(2-Methylpropyl)-thiazole 2-ISOBUTYL THIAZOLE 2-Isobutyl-1,3-thiazole 2-Isobutyl-thiazole 2-Isobutylthiazole 2-Isobutylthiazole, 8CI Tetramethylmurexide Thiazole, 2-(2-methylpropyl)- Thiazole, 2-isobutyl- Thiazole, 2-isobutyl- (8CI) C7H11NS 141.234 141.061220047 2-(2-methylpropyl)-1,3-thiazole 2-(2-methylpropyl)-1,3-thiazole 18640-74-9 CC(C)CC1=NC=CS1 InChI=1S/C7H11NS/c1-6(2)5-7-8-3-4-9-7/h3-4,6H,5H2,1-2H3 CMPVUVUNJQERIT-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 2.90 ALOGPS logs -2.33 ALOGPS solubility 6.53e-01 g/l ALOGPS logp 2.19 ChemAxon pka_strongest_basic 3.43 ChemAxon iupac 2-(2-methylpropyl)-1,3-thiazole ChemAxon average_mass 141.234 ChemAxon mono_mass 141.061220047 ChemAxon smiles CC(C)CC1=NC=CS1 ChemAxon formula C7H11NS ChemAxon inchi InChI=1S/C7H11NS/c1-6(2)5-7-8-3-4-9-7/h3-4,6H,5H2,1-2H3 ChemAxon inchikey CMPVUVUNJQERIT-UHFFFAOYSA-N ChemAxon polar_surface_area 12.89 ChemAxon refractivity 39.48 ChemAxon polarizability 15.82 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1581 Specdb::MsIr 4974 Specdb::MsIr 4975 Specdb::CMs 2724 Specdb::CMs 28932 Specdb::CMs 100974 Specdb::CMs 169826 Specdb::NmrOneD 271378 Specdb::NmrOneD 271379 Specdb::NmrOneD 271380 Specdb::NmrOneD 271381 Specdb::NmrOneD 271382 Specdb::NmrOneD 271383 Specdb::NmrOneD 271384 Specdb::NmrOneD 271385 Specdb::NmrOneD 271386 Specdb::NmrOneD 271387 Specdb::NmrOneD 271388 Specdb::NmrOneD 271389 Specdb::NmrOneD 271390 Specdb::NmrOneD 271391 Specdb::NmrOneD 271392 Specdb::NmrOneD 271393 Specdb::NmrOneD 271394 Specdb::NmrOneD 271395 Specdb::NmrOneD 271396 Specdb::NmrOneD 271397 Specdb::MsMs 107277 Specdb::MsMs 107278 Specdb::MsMs 107279 Specdb::MsMs 174207 Specdb::MsMs 174208 Specdb::MsMs 174209 Specdb::MsMs 3042910 Specdb::MsMs 3042911 Specdb::MsMs 3042912 Specdb::MsMs 3097729 Specdb::MsMs 3097730 Specdb::MsMs 3097731 HMDB31862 #<Reference:0x000055ce32219f98> Cherry tomato Type 1 specific Solanum lycopersicum var. cerasiforme 195583 Garden tomato Type 1 specific Solanum lycopersicum 4081 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 earthy green leaf metallic privet tomato tomato leaf tomatoleaf vegetable wasabi