1.0 2010-04-08 22:14:40 UTC 2019-11-26 03:18:02 UTC FDB019911 2-Methyl-3-(methyldithio)furan Occurs in coffee and whisky aromaand is) also reported in hydrogenated vegetable oil. Flavour ingredient. 2-Methyl-3-(methyldithio)furan is found in alcoholic beverages, coffee and coffee products, and fats and oils. (2-Methylfuryl-3)methyl disulfide 2-Methyl-[3-methyldithio]-furane 2-Methyl-3-(methyldithio)-furan Disulfide, 2-methyl-3-furyl methyl FEMA 3573 Furan, 2-methyl-3-(methyldithio) Furan, 2-methyl-3-(methyldithio)- Methyl 2-methyl-3-furanyl disulfide Methyl 2-methyl-3-furyl disulfide C6H8OS2 160.257 160.001656258 2-methyl-3-(methyldisulfanyl)furan 2-methyl-3-(methyldisulfanyl)furan 65505-17-1 CSSC1=C(C)OC=C1 InChI=1S/C6H8OS2/c1-5-6(9-8-2)3-4-7-5/h3-4H,1-2H3 SRUTWBWLFKSTIS-UHFFFAOYSA-N belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Heteroaromatic compounds Organic compounds Organoheterocyclic compounds Heteroaromatic compounds Aromatic heteromonocyclic compounds Furans Hydrocarbon derivatives Organic disulfides Organooxygen compounds Oxacyclic compounds Sulfenyl compounds Aromatic heteromonocyclic compound Furan Heteroaromatic compound Hydrocarbon derivative Organic disulfide Organic oxygen compound Organooxygen compound Organosulfur compound Oxacycle Sulfenyl compound logp 2.32 ALOGPS logs -2.96 ALOGPS solubility 1.76e-01 g/l ALOGPS logp 2.3 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 2-methyl-3-(methyldisulfanyl)furan ChemAxon average_mass 160.257 ChemAxon mono_mass 160.001656258 ChemAxon smiles CSSC1=C(C)OC=C1 ChemAxon formula C6H8OS2 ChemAxon inchi InChI=1S/C6H8OS2/c1-5-6(9-8-2)3-4-7-5/h3-4H,1-2H3 ChemAxon inchikey SRUTWBWLFKSTIS-UHFFFAOYSA-N ChemAxon polar_surface_area 13.14 ChemAxon refractivity 42.47 ChemAxon polarizability 16.18 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 4517 Specdb::NmrOneD 4644 Specdb::CMs 2601 Specdb::CMs 136745 Specdb::CMs 144479 Specdb::MsIr 8761 Specdb::MsIr 8762 Specdb::MsMs 64353 Specdb::MsMs 64354 Specdb::MsMs 64355 Specdb::MsMs 121482 Specdb::MsMs 121483 Specdb::MsMs 121484 Specdb::MsMs 2391124 Specdb::MsMs 2391125 Specdb::MsMs 2391126 Specdb::MsMs 2575477 Specdb::MsMs 2575478 Specdb::MsMs 2575479 HMDB40199 #<Reference:0x000055ce323f8f08> Alcoholic beverages Unknown generic Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Fats and oils Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390 beef cooked meat cookedmeat meat meaty onion peanut pepper roasted sulfurous thiamin vegetable