1.0 2010-04-08 22:14:40 UTC 2019-11-26 03:18:02 UTC FDB019910 2,5-Dimethyl-3-(methylthio)furan Occurs in coffee aroma. 2,5-Dimethyl-3-(methylthio)furan is found in coffee and coffee products. 2,5-Dimethyl-3-(methylthio)-furan 2,5-Dimethyl-3-(methylthio)furan 2,5-Dimethyl-3-(methylthiol)-furan Furan, 2,5-dimethyl-3-(methylthio)- Furan, 2,5-dimethyl-3-(methylthiol)- Furan,2,5-dimethyl-3-(methylthiol)- C7H10OS 142.219 142.045235632 2,5-dimethyl-3-(methylsulfanyl)furan 2,5-dimethyl-3-(methylsulfanyl)furan 63359-63-7 CSC1=C(C)OC(C)=C1 InChI=1S/C7H10OS/c1-5-4-7(9-3)6(2)8-5/h4H,1-3H3 DWAOFMNMQUXUGG-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 heteromonocyclic compounds Alkylarylthioethers Furans Heteroaromatic compounds Hydrocarbon derivatives Organooxygen compounds Oxacyclic compounds Sulfenyl compounds Alkylarylthioether Aromatic heteromonocyclic compound Aryl thioether Furan Heteroaromatic compound Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Sulfenyl compound logp 2.59 ALOGPS logs -2.82 ALOGPS solubility 2.16e-01 g/l ALOGPS logp 2.14 ChemAxon pka_strongest_basic -2.1 ChemAxon iupac 2,5-dimethyl-3-(methylsulfanyl)furan ChemAxon average_mass 142.219 ChemAxon mono_mass 142.045235632 ChemAxon smiles CSC1=C(C)OC(C)=C1 ChemAxon formula C7H10OS ChemAxon inchi InChI=1S/C7H10OS/c1-5-4-7(9-3)6(2)8-5/h4H,1-3H3 ChemAxon inchikey DWAOFMNMQUXUGG-UHFFFAOYSA-N ChemAxon polar_surface_area 13.14 ChemAxon refractivity 41.63 ChemAxon polarizability 16.01 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8759 Specdb::MsIr 8760 Specdb::CMs 25831 Specdb::CMs 163808 Specdb::MsMs 323257 Specdb::MsMs 323258 Specdb::MsMs 323259 Specdb::MsMs 371371 Specdb::MsMs 371372 Specdb::MsMs 371373 Specdb::MsMs 3040972 Specdb::MsMs 3040973 Specdb::MsMs 3040974 Specdb::MsMs 3102065 Specdb::MsMs 3102066 Specdb::MsMs 3102067 HMDB40198 #<Reference:0x000055ce329b2d68> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390