1.0 2020-02-10 19:46:49 UTC 2020-04-16 17:52:52 UTC BMDB0063700 BMDB63700 2-Butyl-thiophene 2-N-Butylthiophene C8H12S 140.24 140.06597156 2-butylthiophene thiophene, 2-butyl- CCCCC1=CC=CS1 InChI=1S/C8H12S/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3 MNDZHERKKXUTOE-UHFFFAOYSA-N belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Organic compounds Organoheterocyclic compounds Heteroaromatic compounds Heteroaromatic compounds Hydrocarbon derivatives Thiophenes Aromatic heteromonocyclic compound Heteroaromatic compound Hydrocarbon derivative Thiophene Aromatic heteromonocyclic compounds logp 4.05 ALOGPS logs -3.17 ALOGPS logp 3.73 ChemAxon iupac 2-butylthiophene ChemAxon average_mass 140.24 ChemAxon mono_mass 140.06597156 ChemAxon smiles CCCCC1=CC=CS1 ChemAxon formula C8H12S ChemAxon inchi InChI=1S/C8H12S/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3 ChemAxon inchikey MNDZHERKKXUTOE-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 41.95 ChemAxon polarizability 16.66 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 1304122 Specdb::MsMs 1304123 Specdb::MsMs 1304124 Specdb::MsMs 1418674 Specdb::MsMs 1418675 Specdb::MsMs 1418676 Muscle Samples have been collected from Heifer cows. Osorio MT, Downey G, Moloney AP, Rohrle FT, Luciano G, Schmidt O, Monahan FJ: Beef authentication using dietary markers: chemometric selection and modelling of significant beef biomarkers using concatenated data from multiple analytical methods. Food Chem. 2013 Dec 1;141(3):2795-801. doi: 10.1016/j.foodchem.2013.05.118. Epub 2013 Jun 5. 23871026 73818