{"ymdb_id":"YMDB16097","created_at":"2016-08-03T23:53:17.000Z","updated_at":"2016-09-10T00:52:20.000Z","name":"alpha-Thiophenecarboxaldehyde","cas":null,"state":null,"melting_point":null,"description":"alpha-Thiophenecarboxaldehyde, or 2-thiophenecarboxaldehyde is a flavour ingredient. 2-Thiophenecarboxaldehyde belongs to the family of Thiophenes. These are compounds containing a five-member aromatic compound made up of one sulfur atom and four carbon atoms.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"thiophene-2-carbaldehyde","traditional_iupac":"thiophene-2-carboxaldehyde","logp":"1.5986295336666663","pka":null,"alogps_solubility":"1.31e+00 g/l","alogps_logp":"1.00","alogps_logs":"-1.93","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"17.07","refractivity":"29.5319","polarizability":"10.668777131821445","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.5208759426897895","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":[],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":19845354,"citation":"Robinson AL, Ebeler SE, Heymann H, Boss PK, Solomon PS, Trengove RD. (2009). \"Interactions between wine volatile compounds and grape and wine matrix components influence aroma compound headspace partitioning.\" J Agric Food Chem. 2009 Nov 11;57(21):10313-22."}],"proteins":[]}