{"ymdb_id":"YMDB01478","created_at":"2011-07-25T20:43:31.000Z","updated_at":"2016-09-08T18:36:43.000Z","name":"Diisopropyl sulfide","cas":"625-80-9","state":"Liquid","melting_point":"-78.1 oC","description":"Diisopropyl sulfide is a sulfur compound found in simulated meat flavours derived from autolysed baker's yeast.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":"2.84 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"12264","cs_id":"11761","foodb_id":"FDB000735","wikipedia_link":null,"biocyc_id":null,"iupac":"2-(propan-2-ylsulfanyl)propane","traditional_iupac":"2,4-dimethyl-3-thiapentane","logp":"2.3552336030000003","pka":null,"alogps_solubility":"2.82e-01 g/l","alogps_logp":"3.01","alogps_logs":"-2.62","acceptor_count":"0","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"0.0","refractivity":"37.423300000000005","polarizability":"14.894019049112703","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":null,"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-(Isopropylsulfanyl)propane","2-(isopropylthio)propane","2,2'-Thiobispropane","2,4-Dimethyl-3-thiapentane","Diisopropyl sulphide","Isopropyl sulfide","Propane, 2, 2'-thiobis-","Propane, 2,2'-thiobis-"],"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":[]}