{"ymdb_id":"YMDB01485","created_at":"2011-07-25T20:44:24.000Z","updated_at":"2016-09-08T18:36:44.000Z","name":"2-[(Methylthio)methyl]-2-butenal","cas":"40878-72-6","state":null,"melting_point":null,"description":"2-[(Methylthio)methyl]-2-butenal is a flavour component found in yeast extracts.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"6435925","cs_id":null,"foodb_id":"FDB003437","wikipedia_link":null,"biocyc_id":null,"iupac":"(2E)-2-[(methylsulfanyl)methyl]but-2-enal","traditional_iupac":"(2E)-2-[(methylsulfanyl)methyl]but-2-enal","logp":"1.5141239736666672","pka":null,"alogps_solubility":"4.56e+00 g/l","alogps_logp":"1.89","alogps_logs":"-1.46","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"3","polar_surface_area":"17.07","refractivity":"38.8509","polarizability":"14.40821194486253","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.617409437082683","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":["2-((methylthio)Methyl)-2-butenal","2-(methylmercapto)Methyl-2-butenal","2-(methylthio)Methyl-2-butenal","2-Ethylidene methional","FEMA 3601"],"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":[]}