{"ymdb_id":"YMDB01502","created_at":"2011-07-25T20:46:30.000Z","updated_at":"2016-09-08T18:36:45.000Z","name":"2-Methyl-3-thiophenethiol","cas":"2527-76-6","state":null,"melting_point":null,"description":"2-Methyl-3-thiophenethiol is a cysteine-derived Maillard product. It is a component of yeast extracts with a meat-like, sulfury odour.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"75664","cs_id":"68184","foodb_id":"FDB019437","wikipedia_link":null,"biocyc_id":null,"iupac":"2-methylthiophene-3-thiol","traditional_iupac":"2-methylthiophene-3-thiol","logp":"2.492755758","pka":null,"alogps_solubility":"2.07e-01 g/l","alogps_logp":"2.50","alogps_logs":"-2.80","acceptor_count":"0","donor_count":"1","rotatable_bond_count":"0","polar_surface_area":"0","refractivity":"36.2299","polarizability":"13.5765645759104","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-7.399136390966147","pka_strongest_acidic":"6.403736866692703","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["2-methyl-3-thiophenthiol","2-Methyl-thiopene-3-thiol","2-Methylthiophen-3-thiol","2-methylthiophene-3-thiol","3-Thiophenethiol, 2-methyl-","3-Thiophenthiol, 2-methyl","Thiophen-3-thiol, 2-methyl"],"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":[]}