{"ymdb_id":"YMDB01792","created_at":"2011-08-31T03:46:06.000Z","updated_at":"2016-09-08T18:37:08.000Z","name":"Thiophene","cas":null,"state":"Liquid","melting_point":"-39.4 oC","description":"Thiophene is a compound responsible for garlic-like aromas in spoiled wines.","experimental_water_solubility":"3.01 mg/mL at 25 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":"1.81 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":"30856","hmdb_id":null,"kegg_id":"C02595","pubchem_id":"8030","cs_id":"7739","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"thiophene","traditional_iupac":"thiophene","logp":"1.753687769","pka":null,"alogps_solubility":"1.22e+00 g/l","alogps_logp":"1.89","alogps_logs":"-1.84","acceptor_count":"0","donor_count":"0","rotatable_bond_count":"0","polar_surface_area":"0.0","refractivity":"23.1638","polarizability":"8.55734014130827","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":null,"pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["2-Thienylacetic acid","2-Thiopheneacetic acid","Dibenzothiophene (USAN)","Divinylene sulfide","Furan, Thio-","Hopkin's lactic acid reagent","Huile H50","Huile HSO","Thiacyclopentadiene","Thiaphene","Thien-2-ylacetate","Thiofen","Thiofuram","Thiofuran","Thiofurfuran","Thiole","Thiophen","Thiotetrole"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}