1.0 2010-04-08 22:08:03 UTC 2015-07-20 22:21:44 UTC FDB008381 (Methylthio)acetaldehyde Flavouring ingredient (Methylthio)acetaldehyde 2-[Methylthio]ethanal 2-methylsulfanylacetaldehyde FEMA 3206 Methylthioacetaldehyde C3H6OS 90.144 90.013935504 2-(methylsulfanyl)acetaldehyde 2-(methylsulfanyl)acetaldehyde 23328-62-3 CSCC=O InChI=1S/C3H6OS/c1-5-3-2-4/h2H,3H2,1H3 NCNSBFDGXBKAKB-UHFFFAOYSA-N belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two alkyl groups. Dialkylthioethers Organic compounds Organosulfur compounds Thioethers Dialkylthioethers Aliphatic acyclic compounds Aldehydes Hydrocarbon derivatives Organic oxides Sulfenyl compounds Aldehyde Aliphatic acyclic compound Carbonyl group Dialkylthioether Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Sulfenyl compound logp 0.89 ALOGPS logs -0.37 ALOGPS solubility 3.84e+01 g/l ALOGPS logp 0.23 ChemAxon pka_strongest_acidic 13.74 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac 2-(methylsulfanyl)acetaldehyde ChemAxon average_mass 90.144 ChemAxon mono_mass 90.013935504 ChemAxon smiles CSCC=O ChemAxon formula C3H6OS ChemAxon inchi InChI=1S/C3H6OS/c1-5-3-2-4/h2H,3H2,1H3 ChemAxon inchikey NCNSBFDGXBKAKB-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 24.2 ChemAxon polarizability 9.29 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4881 Specdb::MsIr 4882 Specdb::CMs 24461 Specdb::CMs 149866 Specdb::NmrOneD 19782 Specdb::NmrOneD 19783 Specdb::NmrOneD 19784 Specdb::NmrOneD 19785 Specdb::NmrOneD 19786 Specdb::NmrOneD 19787 Specdb::NmrOneD 19788 Specdb::NmrOneD 19789 Specdb::NmrOneD 19790 Specdb::NmrOneD 19791 Specdb::NmrOneD 19792 Specdb::NmrOneD 19793 Specdb::NmrOneD 19794 Specdb::NmrOneD 19795 Specdb::NmrOneD 19796 Specdb::NmrOneD 19797 Specdb::NmrOneD 19798 Specdb::NmrOneD 19799 Specdb::NmrOneD 19800 Specdb::NmrOneD 19801 Specdb::MsMs 55215 Specdb::MsMs 55216 Specdb::MsMs 55217 Specdb::MsMs 110319 Specdb::MsMs 110320 Specdb::MsMs 110321 Specdb::MsMs 3056810 Specdb::MsMs 3056811 Specdb::MsMs 3056812 Specdb::MsMs 3113099 Specdb::MsMs 3113100 Specdb::MsMs 3113101 HMDB31718 50716 #<Reference:0x000055ce315b8010> garlic mustard nutty onion potato sulfurous vegetable