1.0 2010-04-08 22:12:45 UTC 2019-11-26 03:13:59 UTC FDB016960 5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal 5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal is a flavouring ingredient and antioxidant. It is found in tomato juice and hydrolysed vegetable protein. 2-[(methylthio)methyl]-5-(methylthio)-2-pentenal 2-Methylthiomethyl-5-methylthiopent-2-enal 2-Pentenal, 5-(methylthio)-2-((methylthio)methyl)- 2,8-dithianon-4-en-4-carboxaldehyde 2,8-Dithianon-4-en-4-carboxaldhyde 2,8-Dithianon-4-ene-4-carboxaldehyde 4-Formyl-2,8-dithianon-4-ene 5-(Methylthio)-2-((methylthio)methyl)-2-pentenal 5-(Methylthio)-2-((methylthio)methyl)pent-2-enal 5-(Methylthio)-2-(methylthio)methylpent-2-en-1-al FEMA 3483 Methialdol C8H14OS2 190.326 190.04860645 (2E)-5-(methylsulfanyl)-2-[(methylsulfanyl)methyl]pent-2-enal (2E)-5-(methylsulfanyl)-2-[(methylsulfanyl)methyl]pent-2-enal 59902-01-1 CSCC\C=C(\CSC)C=O InChI=1S/C8H14OS2/c1-10-5-3-4-8(6-9)7-11-2/h4,6H,3,5,7H2,1-2H3/b8-4+ VVZWQNGEMWJSTM-XBXARRHUSA-N belongs to the class of organic compounds known as enals. These are an alpha,beta-unsaturated aldehyde of general formula RC=C-CH=O in which the aldehydic C=O function is conjugated to a C=C triple bond at the alpha,beta position. Enals Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Aldehydes Dialkylthioethers Hydrocarbon derivatives Organic oxides Sulfenyl compounds Aldehyde Aliphatic acyclic compound Dialkylthioether Enal Hydrocarbon derivative Organic oxide Organosulfur compound Sulfenyl compound Thioether logp 1.88 ALOGPS logs -3.01 ALOGPS solubility 1.86e-01 g/l ALOGPS logp 2.16 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac (2E)-5-(methylsulfanyl)-2-[(methylsulfanyl)methyl]pent-2-enal ChemAxon average_mass 190.326 ChemAxon mono_mass 190.04860645 ChemAxon smiles CSCC\C=C(\CSC)C=O ChemAxon formula C8H14OS2 ChemAxon inchi InChI=1S/C8H14OS2/c1-10-5-3-4-8(6-9)7-11-2/h4,6H,3,5,7H2,1-2H3/b8-4+ ChemAxon inchikey VVZWQNGEMWJSTM-XBXARRHUSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 56.06 ChemAxon polarizability 21.79 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12750 Specdb::CMs 162927 Specdb::MsIr 7673 Specdb::MsIr 7674 Specdb::MsMs 294001 Specdb::MsMs 294002 Specdb::MsMs 294003 Specdb::MsMs 334612 Specdb::MsMs 334613 Specdb::MsMs 334614 Specdb::MsMs 2742010 Specdb::MsMs 2742011 Specdb::MsMs 2742012 Specdb::MsMs 2939456 Specdb::MsMs 2939457 Specdb::MsMs 2939458 HMDB37815 #<Reference:0x000055ce326d8200> Garden tomato Type 1 specific Solanum lycopersicum 4081