{"ymdb_id":"YMDB01503","created_at":"2011-07-25T20:46:37.000Z","updated_at":"2016-09-08T18:36:45.000Z","name":"5-Methyl-2-furanmethanethiol","cas":"59303-05-8","state":null,"melting_point":null,"description":"5-Methyl-2-furanmethanethiol is a cysteine-derived Maillard product. It is a constituent of coffee, roasted sesame and yeast-extract volatiles.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"521873","cs_id":"455235","foodb_id":"FDB019450","wikipedia_link":null,"biocyc_id":null,"iupac":"(5-methylfuran-2-yl)methanethiol","traditional_iupac":"(5-methylfuran-2-yl)methanethiol","logp":"1.5611659516666663","pka":null,"alogps_solubility":"1.67e-01 g/l","alogps_logp":"2.07","alogps_logs":"-2.88","acceptor_count":"0","donor_count":"1","rotatable_bond_count":"1","polar_surface_area":"13.14","refractivity":"36.597100000000005","polarizability":"14.0617811878289","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.8138533609042207","pka_strongest_acidic":"9.712481599968374","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["(5-Methyl-2-furyl)methanethiol","2-Methyl-5-thiomethylfuran","5-methyl-2-(methylthio)furan","5-Methyl-2-furfurylmercaptan","5-Methyl-2-furfurylthiol","5-methylfurfuryl mercaptan"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":null,"citation":"Yannai S. Dictionary of food compounds with CD-ROM: additives, flavors, and ingredients. Chapman \u0026 Hall/CRC; 2004."}],"proteins":[]}