{"ymdb_id":"YMDB01672","created_at":"2011-08-31T03:34:09.000Z","updated_at":"2016-09-08T18:36:58.000Z","name":"Diethylsulfide","cas":"352-93-2","state":"Liquid","melting_point":"-103.9 oC","description":"Diethylsulfide is a compound responsible for garlic-like or onion-like aromas in spoiled wines.","experimental_water_solubility":"3.13 mg/mL at 20 oC [VALVANI,SC et al. (1981)]","experimental_logp_hydrophobicity":"1.95 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":"27710","hmdb_id":null,"kegg_id":"C02272","pubchem_id":"9609","cs_id":"9233","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(ethylsulfanyl)ethane","traditional_iupac":"ethyl sulfide","logp":"1.7296394823333334","pka":null,"alogps_solubility":"1.87e+00 g/l","alogps_logp":"2.46","alogps_logs":"-1.68","acceptor_count":"0","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"0.0","refractivity":"28.487299999999998","polarizability":"11.269903241346634","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":["(C2H5)2S","1-(Ethylsulfanyl)ethane","1-(ethylthio)ethane","1,1'-Thiobisethane","3-Thiapentane","Diethyl sulfide","Diethyl sulphide","Diethyl thioether","Diethylsulfid","Diethylthioether","Ethane, 1,1'-thiobis-","Ethyl monosulfide","Ethyl sulfide","Ethyl thioether","Ethylthioethane","Sulfodor","Thioethyl ether"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}