{"ymdb_id":"YMDB01453","created_at":"2011-07-25T20:39:40.000Z","updated_at":"2016-09-08T18:36:42.000Z","name":"bis-(2-methyl-3-furyl) disulfide","cas":"28588-75-2","state":null,"melting_point":null,"description":"3,3'-Dithiobis[2-methylfuran] is a cysteine derived maillard product. It occurs in yeast autolysate, cooked beef and black and green tea. Flavouring agent for meat prods.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":"48343","hmdb_id":null,"kegg_id":null,"pubchem_id":"526624","cs_id":"459081","foodb_id":"FDB019913","wikipedia_link":null,"biocyc_id":null,"iupac":"2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan","traditional_iupac":"2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan","logp":"3.253358637333333","pka":null,"alogps_solubility":"4.01e-02 g/l","alogps_logp":"3.81","alogps_logs":"-3.75","acceptor_count":"0","donor_count":"0","rotatable_bond_count":"3","polar_surface_area":"26.28","refractivity":"57.78640000000001","polarizability":"22.256614296825838","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.5545969375585726","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"2","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":["3,3'-dithiobis[2-methylfuran]","bis-(2-Methylfuryl-3-) disulfide","bis-[(2-Methylfuryl-3)] disulfide","Bis(2-methyl-3-furyI)-disulfide","bis(2-methyl-3-furyl)disulphide","bis(2-methylfuryl) disulfide","disulfides","Furan, 3,3'-dithiobis[2-methyl-"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":16968089,"citation":"Mahadevan, K., Farmer, L. (2006). \"Key odor impact compounds in three yeast extract pastes.\" J Agric Food Chem 54:7242-7250."},{"pubmed_id":null,"citation":"Yannai S. Dictionary of food compounds with CD-ROM: additives, flavors, and ingredients. Chapman \u0026 Hall/CRC; 2004."}],"proteins":[]}