{"ymdb_id":"YMDB01750","created_at":"2011-08-31T03:41:55.000Z","updated_at":"2016-09-08T18:37:05.000Z","name":"Methyl-3-methylthioproprionate","cas":"13532-18-8","state":null,"melting_point":null,"description":"Methyl-3-methylthiopropionate is a compound responsible for pineapple aromas.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"61641","cs_id":"55549","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"methyl 3-(methylsulfanyl)propanoate","traditional_iupac":"methyl 3-(methylsulfanyl)propanoate","logp":"0.9806916380000004","pka":null,"alogps_solubility":"1.10e+01 g/l","alogps_logp":"0.73","alogps_logs":"-1.09","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"4","polar_surface_area":"26.3","refractivity":"34.494","polarizability":"14.406098553630297","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.033070537272895","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["3-Methylsulfanyl-propionate methyl ester","3-Methylsulfanyl-propionic acid methyl ester","3-Methylsulphanyl-propionate methyl ester","3-Methylsulphanyl-propionic acid methyl ester","Methyl 3-(methylthio)propanoic acid"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}