{"ymdb_id":"YMDB01590","created_at":"2011-08-31T03:25:34.000Z","updated_at":"2016-09-08T18:36:52.000Z","name":"2-Methylthio-ethanol","cas":"5271-38-5","state":null,"melting_point":null,"description":"2-Methylthio-ethanol is a volatile compound responsible for cauliflower-like aromas as a result of bacterial spoilage.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"78925","cs_id":"71259","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-(methylsulfanyl)ethan-1-ol","traditional_iupac":"2-(methylthio)ethanol","logp":"0.27379206533333356","pka":null,"alogps_solubility":"7.92e+01 g/l","alogps_logp":"-0.16","alogps_logs":"-0.07","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"2","polar_surface_area":"20.23","refractivity":"25.3872","polarizability":"10.20147559291879","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.5574145083290176","pka_strongest_acidic":"15.55186440711244","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-Hydroxy-2-(methylthio)-ethane","2-(Methylsulfanyl)ethanol","2-(Methylthio)ethanol","2-Hydroxyethyl methyl sulfide","2-MethyIthioethanol","2-Methylmercaptoethanol","beta-(Methylthio)ethanol","beta-Hydroxyethyl methyl sulfide","beta-Methylmercaptoethanol","Hydroxyethyl methyl sulfide","Methyl 2-hydroxyethyl sulfide","S-Methylmercaptoethanol"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}