1.0 2010-04-08 22:09:29 UTC 2019-11-26 03:04:36 UTC FDB011134 2-Acetylthiophene Organoleptic which contributes to several aromas. 2-Acetylthiophene is found in kohlrabi. 1-(2-Thienyl)-ethanone 1-(2-Thienyl)ethanone 1-(2-Thienyl)ethanone, 9CI 1-thiophen-2-yl-ethanone 2-acethylthiophene 2-Acetothienone 2-Acetothiophene 2-Acetylthiophen 2-Thienyl methyl ketone Alpha-acetylthiophene Ethanone, 1-(2-thienyl)- Ketone, methyl 2-thienyl Methyl 2-thienyl ketone Methyl-2-thienyl ketone THIOPHENE,2-ACETYL C6H6OS 126.176 126.013935504 1-(thiophen-2-yl)ethan-1-one 2-acetylthiophene 88-15-3 CC(=O)C1=CC=CS1 InChI=1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3 WYJOVVXUZNRJQY-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. Aryl alkyl ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic heteromonocyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Thiophenes Aromatic heteromonocyclic compound Aryl alkyl ketone Heteroaromatic compound Hydrocarbon derivative Organic oxide Organoheterocyclic compound Thiophene Liquid logp 1.28 ALOGPS logs -2.14 ALOGPS solubility 9.14e-01 g/l ALOGPS melting_point Mp 9° logp 1.44 ChemAxon pka_strongest_acidic 14.96 ChemAxon pka_strongest_basic -7.8 ChemAxon iupac 1-(thiophen-2-yl)ethan-1-one ChemAxon average_mass 126.176 ChemAxon mono_mass 126.013935504 ChemAxon smiles CC(=O)C1=CC=CS1 ChemAxon formula C6H6OS ChemAxon inchi InChI=1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3 ChemAxon inchikey WYJOVVXUZNRJQY-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 33.35 ChemAxon polarizability 12.72 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 4527 Specdb::NmrOneD 4656 Specdb::MsIr 5981 Specdb::MsIr 5982 Specdb::CMs 3054 Specdb::CMs 28918 Specdb::CMs 29446 Specdb::CMs 101306 Specdb::CMs 101307 Specdb::CMs 133314 Specdb::CMs 141048 Specdb::MsMs 96126 Specdb::MsMs 96127 Specdb::MsMs 96128 Specdb::MsMs 160545 Specdb::MsMs 160546 Specdb::MsMs 160547 Specdb::MsMs 2272668 Specdb::MsMs 2272669 Specdb::MsMs 2272670 Specdb::MsMs 3070131 Specdb::MsMs 3070132 Specdb::MsMs 3070133 HMDB33133 #<Reference:0x000055ac40e8eaf8> Asparagus Type 1 specific Asparagus officinalis 4686 Kohlrabi Type 1 specific Brassica oleracea var. gongylodes 109379 0.002 0.002 0.002 mg/100 g sulfur sulfury