1.0 2011-09-26 22:53:07 UTC 2025-11-19 02:58:01 UTC FDB029630 mercaptoacetaldehyde Flavouring compound [Flavornet] C2H4OS 76.11 75.998285923 2-sulfanylacetaldehyde sulfacet 4124-63-4 SCC=O InChI=1S/C2H4OS/c3-1-2-4/h1,4H,2H2 FLJWVVUJGVNXMZ-UHFFFAOYSA-N belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain. Alkylthiols Organic compounds Organosulfur compounds Thiols Alkylthiols Aliphatic acyclic compounds Aldehydes Hydrocarbon derivatives Organic oxides Aldehyde Aliphatic acyclic compound Alkylthiol Carbonyl group Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound logp 0.49 ALOGPS logs -0.66 ALOGPS solubility 1.67e+01 g/l ALOGPS logp -0.16 ChemAxon pka_strongest_acidic 9.63 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac 2-sulfanylacetaldehyde ChemAxon average_mass 76.11 ChemAxon mono_mass 75.998285923 ChemAxon smiles SCC=O ChemAxon formula C2H4OS ChemAxon inchi InChI=1S/C2H4OS/c3-1-2-4/h1,4H,2H2 ChemAxon inchikey FLJWVVUJGVNXMZ-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 19.55 ChemAxon polarizability 7.3 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1313158 Specdb::MsMs 1313159 Specdb::MsMs 1313160 Specdb::MsMs 1427626 Specdb::MsMs 1427627 Specdb::MsMs 1427628 Specdb::MsMs 3606979 Specdb::MsMs 3606980 Specdb::MsMs 3606981 Specdb::MsMs 3606982 Specdb::MsMs 3606983 Specdb::MsMs 3606984 cabbage