{"ymdb_id":"YMDB01433","created_at":"2011-07-25T20:37:15.000Z","updated_at":"2016-09-08T18:36:40.000Z","name":"2-Furanmethanethiol","cas":"98-02-2","state":"Solid","melting_point":null,"description":"2-Furanmethanethiol is a volatile aroma compound found in yeast extracts. It is responsible for coffee like aromas in high quality Champagnes and a burnt-rubber aroma in spoiled wines.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"7363","cs_id":"7085","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(furan-2-yl)methanethiol","traditional_iupac":"2-furanmethanethiol","logp":"1.3616046286666668","pka":null,"alogps_solubility":"5.01e-01 g/l","alogps_logp":"1.68","alogps_logs":"-2.36","acceptor_count":"0","donor_count":"1","rotatable_bond_count":"1","polar_surface_area":"13.14","refractivity":"31.447400000000002","polarizability":"11.78351108406553","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.9027841695920684","pka_strongest_acidic":"9.712609861927252","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["2-furanmethanthiol","2-Furfurylthiol","2-Furylmethanethiol","2-furylmethyl hydrosulfide","2-Furylmethyl mercaptan","2-mercaptomethylfuran","alpha-Furfuryl mercaptan","Furfuryl mercaptan","Furfuryl thiol"],"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":[]}