1.0 2010-04-08 22:09:22 UTC 2015-07-20 22:36:30 UTC FDB010920 1-(2-Thienyl)-1-butanone Flavour enhancer for coffee 1-(2-Thienyl)butan-1-one 1-(thiophen-2-yl)butan-1-one 1-Butanone, 1-(2-thienyl)- 1-thien-2-ylbutan-1-one 1-Thiophen-2-yl-butan-1-one 2-Butyrothienone 2-Butyrylthiophene Ketone, propyl 2-thienyl Propyl 2-thienyl ketone C8H10OS 154.229 154.045235632 1-(thiophen-2-yl)butan-1-one 1-(thiophen-2-yl)butan-1-one 5333-83-5 CCCC(=O)C1=CC=CS1 InChI=1S/C8H10OS/c1-2-4-7(9)8-5-3-6-10-8/h3,5-6H,2,4H2,1H3 YXHIINNJOGKPLF-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 logp 2.42 ALOGPS logs -2.58 ALOGPS solubility 4.10e-01 g/l ALOGPS logp 2.59 ChemAxon pka_strongest_acidic 16.2 ChemAxon pka_strongest_basic -7.8 ChemAxon iupac 1-(thiophen-2-yl)butan-1-one ChemAxon average_mass 154.229 ChemAxon mono_mass 154.045235632 ChemAxon smiles CCCC(=O)C1=CC=CS1 ChemAxon formula C8H10OS ChemAxon inchi InChI=1S/C8H10OS/c1-2-4-7(9)8-5-3-6-10-8/h3,5-6H,2,4H2,1H3 ChemAxon inchikey YXHIINNJOGKPLF-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 42.58 ChemAxon polarizability 16.63 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24663 Specdb::CMs 28920 Specdb::CMs 101278 Specdb::CMs 170625 Specdb::MsIr 5813 Specdb::MsIr 5814 Specdb::MsMs 74718 Specdb::MsMs 74719 Specdb::MsMs 74720 Specdb::MsMs 134181 Specdb::MsMs 134182 Specdb::MsMs 134183 Specdb::MsMs 2768954 Specdb::MsMs 2768955 Specdb::MsMs 2768956 Specdb::MsMs 2912480 Specdb::MsMs 2912481 Specdb::MsMs 2912482 HMDB32935 #<Reference:0x000055ce3267f970> beef grilled roast