1.0 2010-04-08 22:09:21 UTC 2019-11-26 03:04:16 UTC FDB010905 Kahweofuran Constituent of the aroma of roasted coffee. Kahweofuran is found in coffee and coffee products. 2,3-dihydro-6-methyl-thieno[2,3c]furan 4-Methyl-3-oxa-6-thiabicyclo[3.3.0]octa-1,4-diene Bicyclo[3.3.0]-3-oxa-8-thia-1,4-octadiene, 2-methyl Kahweofuran Thieno[2,3-c]furan, 2,3-dihydro-6-methyl C7H8OS 140.203 140.029585568 6-methyl-2H,3H-thieno[2,3-c]furan 6-methyl-2H,3H-thieno[2,3-c]furan 26693-24-3 CC1=C2SCCC2=CO1 InChI=1S/C7H8OS/c1-5-7-6(4-8-5)2-3-9-7/h4H,2-3H2,1H3 WQOKVCDOEDFSAJ-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. Aryl thioethers Organic compounds Organosulfur compounds Thioethers Aryl thioethers Aromatic heteropolycyclic compounds Alkylarylthioethers Furans Heteroaromatic compounds Hydrocarbon derivatives Organooxygen compounds Oxacyclic compounds Alkylarylthioether Aromatic heteropolycyclic compound Aryl thioether Furan Heteroaromatic compound Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle logp 2.30 ALOGPS logs -2.68 ALOGPS solubility 2.91e-01 g/l ALOGPS logp 1.88 ChemAxon pka_strongest_basic -1.9 ChemAxon iupac 6-methyl-2H,3H-thieno[2,3-c]furan ChemAxon average_mass 140.203 ChemAxon mono_mass 140.029585568 ChemAxon smiles CC1=C2SCCC2=CO1 ChemAxon formula C7H8OS ChemAxon inchi InChI=1S/C7H8OS/c1-5-7-6(4-8-5)2-3-9-7/h4H,2-3H2,1H3 ChemAxon inchikey WQOKVCDOEDFSAJ-UHFFFAOYSA-N ChemAxon polar_surface_area 13.14 ChemAxon refractivity 39.84 ChemAxon polarizability 14.84 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20061 Specdb::CMs 151339 Specdb::MsIr 5794 Specdb::MsIr 5795 Specdb::MsMs 6590 Specdb::MsMs 6591 Specdb::MsMs 6592 Specdb::MsMs 13262 Specdb::MsMs 13263 Specdb::MsMs 13264 Specdb::MsMs 2330862 Specdb::MsMs 2330863 Specdb::MsMs 2330864 Specdb::MsMs 2631317 Specdb::MsMs 2631318 Specdb::MsMs 2631319 HMDB32922 #<Reference:0x000055ce31fffe88> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390