1.0 2010-04-08 22:09:21 UTC 2019-11-26 03:04:15 UTC FDB010898 2-Furanmethanethiol 2-Furanmethanethiol is a flavouring ingredient used in coffee aroma. Formed by thermal treatment of cysteine ribose mixtures. It is found in cooked meats, popcorn, wheat bread, roasted coffee and roasted sesame seed oil. (2-Furanyl)methylmercaptan α-furfuryl mercaptan 2-(Mercaptomethyl)furan 2-furanmethanthiol 2-Furfuryl mercaptan 2-Furfurylmercaptan 2-Furfurylthiol 2-Furylmethanethiol 2-Furylmethyl mercaptan 2-Furylmethylsulfide 2-Furylmethylsulphide 2-mercaptomethylfuran Alpha-furfuryl mercaptan FEMA 2493 Furan-2-ylmethanethiol Furfuryl mercaptan Furfuryl thiol C5H6OS 114.166 114.013935504 (furan-2-yl)methanethiol 2-furanmethanethiol 98-02-2 SCC1=CC=CO1 InChI=1S/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2 ZFFTZDQKIXPDAF-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 Alkylthiols Furans Hydrocarbon derivatives Organooxygen compounds Oxacyclic compounds Alkylthiol Aromatic heteromonocyclic compound Furan Heteroaromatic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Organosulfur compound Oxacycle logp 1.68 ALOGPS logs -2.36 ALOGPS solubility 5.01e-01 g/l ALOGPS logp 1.36 ChemAxon pka_strongest_acidic 9.71 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac (furan-2-yl)methanethiol ChemAxon average_mass 114.166 ChemAxon mono_mass 114.013935504 ChemAxon smiles SCC1=CC=CO1 ChemAxon formula C5H6OS ChemAxon inchi InChI=1S/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2 ChemAxon inchikey ZFFTZDQKIXPDAF-UHFFFAOYSA-N ChemAxon polar_surface_area 13.14 ChemAxon refractivity 31.45 ChemAxon polarizability 11.78 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5780 Specdb::MsIr 5781 Specdb::CMs 2559 Specdb::CMs 29439 Specdb::CMs 101272 Specdb::CMs 147460 Specdb::NmrOneD 4534 Specdb::NmrOneD 4663 Specdb::NmrOneD 322172 Specdb::NmrOneD 322173 Specdb::NmrOneD 322174 Specdb::NmrOneD 322175 Specdb::NmrOneD 322176 Specdb::NmrOneD 322177 Specdb::NmrOneD 322178 Specdb::NmrOneD 322179 Specdb::NmrOneD 322180 Specdb::NmrOneD 322181 Specdb::NmrOneD 322182 Specdb::NmrOneD 322183 Specdb::NmrOneD 322184 Specdb::NmrOneD 322185 Specdb::NmrOneD 322186 Specdb::NmrOneD 322187 Specdb::NmrOneD 322188 Specdb::NmrOneD 322189 Specdb::NmrOneD 322190 Specdb::NmrOneD 322191 Specdb::MsMs 52710 Specdb::MsMs 52711 Specdb::MsMs 52712 Specdb::MsMs 113919 Specdb::MsMs 113920 Specdb::MsMs 113921 Specdb::MsMs 2333938 Specdb::MsMs 2333939 Specdb::MsMs 2333940 Specdb::MsMs 2632607 Specdb::MsMs 2632608 Specdb::MsMs 2632609 HMDB32915 #<Reference:0x000055ce320c9b48> 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 Tortilla chip Type 2 specific burnt chocolate coffee fatty fishy oily roast roasted smoky sulfurous sulfury