{"ymdb_id":"YMDB01443","created_at":"2011-07-25T20:38:27.000Z","updated_at":"2016-09-08T18:36:41.000Z","name":"2-methyl-3-furanthiol","cas":"28588-74-1","state":null,"melting_point":null,"description":"2-Methyl-3-furanthiol is a volatile aroma compound found in yeast extracts. It is responsible for the key odors.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"34286","cs_id":"31587","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-methylfuran-3-thiol","traditional_iupac":"2-methyl-3-furanthiol","logp":"1.4062598389999998","pka":null,"alogps_solubility":"2.81e-01 g/l","alogps_logp":"1.98","alogps_logs":"-2.61","acceptor_count":"0","donor_count":"1","rotatable_bond_count":"0","polar_surface_area":"13.14","refractivity":"31.7309","polarizability":"11.7211174810316","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-2.78607809311366","pka_strongest_acidic":"5.381943762493814","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["2-methyl-3-mercaptofuran","2-methyl-3-sulfanylfuran","2-methyl, 3-furanethiol","2-methylfuran-3-thiol","3-Furanthiol, 2-methyl-","Furan-3-thiol, 2-methyl"],"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":[]}