{"ymdb_id":"YMDB01460","created_at":"2011-07-25T20:40:34.000Z","updated_at":"2016-09-08T18:36:42.000Z","name":"2-furfurylmethylsulfide","cas":"1438-91-1","state":null,"melting_point":null,"description":"Volatile aroma compound found in yeast extracts","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"20065746","cs_id":"14561263","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-(furan-2-yl)ethane-1-thiol","traditional_iupac":"2-(furan-2-yl)ethanethiol","logp":"1.5774718276666666","pka":null,"alogps_solubility":"1.82e-01 g/l","alogps_logp":"2.16","alogps_logs":"-2.85","acceptor_count":"0","donor_count":"1","rotatable_bond_count":"2","polar_surface_area":"13.14","refractivity":"36.1588","polarizability":"13.914358718559882","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.6815936694762845","pka_strongest_acidic":"10.142998682117062","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["2-[(Methylsulfanyl)methyl]furan","2-[(Methylthio)-methyl]-furan","2-Furfuryl methyl sulphide","Furfuryl methyl sulfide"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":16968089,"citation":"Mahadevan, K., Farmer, L. (2006). \"Key odor impact compounds in three yeast extract pastes.\" J Agric Food Chem 54:7242-7250."}],"proteins":[]}