1.0 2010-04-08 22:12:41 UTC 2015-07-20 23:33:31 UTC FDB016861 S-(2-Furanylmethyl) methanethioate Flavouring ingredient 2-Furanmethanethiol formate 3-(2-Furanylmethyl) methanethioate FEMA 3158 Furfuryl mercaptan formate Furfuryl thioformate Furfurylthiol formate Methanethioic acid, 3-(2-furanylmethyl) ester Methanethioic acid, S-(2-furanylmethyl) ester S-(2-Furanylmethyl) methanethioate S-(2-Furylmethyl) methanethioate C6H6O2S 142.176 142.008850126 [(furan-2-ylmethyl)sulfanyl]carbaldehyde (furan-2-ylmethyl)sulfanylcarbaldehyde 59020-90-5 O=CSCC1=CC=CO1 InChI=1S/C6H6O2S/c7-5-9-4-6-2-1-3-8-6/h1-3,5H,4H2 GFAOAYJTEVHTLA-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 Carbonyl compounds Carbothioic S-esters Carboxylic acids and derivatives Furans Hydrocarbon derivatives Organic oxides Oxacyclic compounds Sulfenyl compounds Thioesters Aromatic heteromonocyclic compound Carbonyl group Carbothioic s-ester Carboxylic acid derivative Furan Heteroaromatic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Organosulfur compound Oxacycle Sulfenyl compound Thiocarboxylic acid ester Thiocarboxylic acid or derivatives logp 0.59 ALOGPS logs -1.68 ALOGPS solubility 3.00e+00 g/l ALOGPS logp 1.15 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac [(furan-2-ylmethyl)sulfanyl]carbaldehyde ChemAxon average_mass 142.176 ChemAxon mono_mass 142.008850126 ChemAxon smiles O=CSCC1=CC=CO1 ChemAxon formula C6H6O2S ChemAxon inchi InChI=1S/C6H6O2S/c7-5-9-4-6-2-1-3-8-6/h1-3,5H,4H2 ChemAxon inchikey GFAOAYJTEVHTLA-UHFFFAOYSA-N ChemAxon polar_surface_area 30.21 ChemAxon refractivity 36.42 ChemAxon polarizability 13.89 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16147 Specdb::CMs 132646 Specdb::CMs 140380 Specdb::MsIr 7637 Specdb::MsIr 7638 Specdb::NmrOneD 22682 Specdb::NmrOneD 22683 Specdb::NmrOneD 22684 Specdb::NmrOneD 22685 Specdb::NmrOneD 22686 Specdb::NmrOneD 22687 Specdb::NmrOneD 22688 Specdb::NmrOneD 22689 Specdb::NmrOneD 22690 Specdb::NmrOneD 22691 Specdb::NmrOneD 22692 Specdb::NmrOneD 22693 Specdb::NmrOneD 22694 Specdb::NmrOneD 22695 Specdb::NmrOneD 22696 Specdb::NmrOneD 22697 Specdb::NmrOneD 22698 Specdb::NmrOneD 22699 Specdb::NmrOneD 22700 Specdb::NmrOneD 22701 Specdb::MsMs 65856 Specdb::MsMs 65857 Specdb::MsMs 65858 Specdb::MsMs 123303 Specdb::MsMs 123304 Specdb::MsMs 123305 Specdb::MsMs 2323570 Specdb::MsMs 2323571 Specdb::MsMs 2323572 Specdb::MsMs 2615085 Specdb::MsMs 2615086 Specdb::MsMs 2615087 HMDB37731 #<Reference:0x00007f6258d355d8> butterscotch coffee horseradish nutty sulfurous tropica