{"ymdb_id":"YMDB15951","created_at":"2016-08-03T23:49:41.000Z","updated_at":"2016-09-10T00:52:01.000Z","name":"3,4-Dimethylthiophene","cas":null,"state":null,"melting_point":null,"description":"3,4-Dimethylthiophene is found in garden onion. 3,4-Dimethylthiophene is an odorant used in food flavouring.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"3,4-dimethylthiophene","traditional_iupac":"3,4-dimethylthiophene","logp":"2.780530547666667","pka":null,"alogps_solubility":"5.44e-01 g/l","alogps_logp":"2.69","alogps_logs":"-2.31","acceptor_count":"0","donor_count":"0","rotatable_bond_count":"0","polar_surface_area":"0","refractivity":"33.2462","polarizability":"12.683693120591858","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.574081826301711","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":[],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":19845354,"citation":"Robinson AL, Ebeler SE, Heymann H, Boss PK, Solomon PS, Trengove RD. (2009). \"Interactions between wine volatile compounds and grape and wine matrix components influence aroma compound headspace partitioning.\" J Agric Food Chem. 2009 Nov 11;57(21):10313-22."}],"proteins":[]}