1.0 2010-04-08 22:12:02 UTC 2019-11-26 03:12:09 UTC FDB015753 (2-Furanylmethyl) methyl disulfide Flavouring ingredient. Constituent of wheat bread aroma, meat flavours, coffee and roasted sesame seed oil. (2-Furanylmethyl) methyl disulfide is found in many foods, some of which are cereals and cereal products, animal foods, fats and oils, and coffee and coffee products. 2-((Methyldithio)methyl)-furan 2-((Methyldithio)methyl)furan 2-(Methyldithiomethyl)furan, 9CI, 8CI 2-[(Methyldisulfanyl)methyl]furan 2-[(Methyldithio)methyl]-furan 2-[(methyldithio)methyl]furan 2-furfuryl methyl disulfide 2-furfurylmethyl-disulphide FEMA 3362 Furan, 2-((methyldithio)methyl)- Furan, 2-[(methyldithio)methyl]- Furfuryl methyl disulfide Furfuryl methyl disulphide Methyl 2-furylmethyl disulfide Methyl furfuryl disulfide C6H8OS2 160.257 160.001656258 2-[(methyldisulfanyl)methyl]furan 2-[(methyldisulfanyl)methyl]furan 57500-00-2 CSSCC1=CC=CO1 InChI=1S/C6H8OS2/c1-8-9-5-6-3-2-4-7-6/h2-4H,5H2,1H3 CLSLQQCDHOZMDT-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 Dialkyldisulfides Furans Hydrocarbon derivatives Organooxygen compounds Oxacyclic compounds Sulfenyl compounds Aromatic heteromonocyclic compound Dialkyldisulfide Furan Heteroaromatic compound Hydrocarbon derivative Organic disulfide Organic oxygen compound Organooxygen compound Organosulfur compound Oxacycle Sulfenyl compound logp 1.94 ALOGPS logs -2.87 ALOGPS solubility 2.17e-01 g/l ALOGPS logp 1.88 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 2-[(methyldisulfanyl)methyl]furan ChemAxon average_mass 160.257 ChemAxon mono_mass 160.001656258 ChemAxon smiles CSSCC1=CC=CO1 ChemAxon formula C6H8OS2 ChemAxon inchi InChI=1S/C6H8OS2/c1-8-9-5-6-3-2-4-7-6/h2-4H,5H2,1H3 ChemAxon inchikey CLSLQQCDHOZMDT-UHFFFAOYSA-N ChemAxon polar_surface_area 13.14 ChemAxon refractivity 44.23 ChemAxon polarizability 16.62 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7311 Specdb::MsIr 7312 Specdb::MsMs 47418 Specdb::MsMs 47419 Specdb::MsMs 47420 Specdb::MsMs 136674 Specdb::MsMs 136675 Specdb::MsMs 136676 Specdb::MsMs 2838420 Specdb::MsMs 2838421 Specdb::MsMs 2838422 Specdb::MsMs 2867571 Specdb::MsMs 2867572 Specdb::MsMs 2867573 Specdb::CMs 26211 Specdb::CMs 160764 HMDB36807 #<Reference:0x000055ce323120d0> Arabica coffee Type 1 specific Coffea arabica 13443 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Coffee and coffee products Unknown generic Fats and oils Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390 alliaceous coffee fishy meaty roasted smoke sulfury