1.02010-04-08 22:12:16 UTC2015-07-20 23:26:19 UTCFDB0161622-(Methylthiomethyl)-3-phenyl-2-propenalFlavouring ingredient2-((Methylthio)methyl)-3-phenyl-2-propenal2-(Methylthiomethyl)-3-phenylpropenal2-Propenal, 2-((methylthio)methyl)-3-phenyl-Alpha-benzylidenemethionalC11H12OS192.277192.060885696(2E)-2-[(methylsulfanyl)methyl]-3-phenylprop-2-enal(2E)-2-[(methylsulfanyl)methyl]-3-phenylprop-2-enal65887-08-3CSC\C(C=O)=C\C1=CC=CC=C1InChI=1S/C11H12OS/c1-13-9-11(8-12)7-10-5-3-2-4-6-10/h2-8H,9H2,1H3/b11-7+QJDHQEQDIWDMOT-YRNVUSSQSA-N belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal.CinnamaldehydesOrganic compoundsPhenylpropanoids and polyketidesCinnamaldehydesAromatic homomonocyclic compoundsAldehydesBenzene and substituted derivativesDialkylthioethersEnalsHydrocarbon derivativesOrganic oxidesSulfenyl compoundsAldehydeAlpha,beta-unsaturated aldehydeAromatic homomonocyclic compoundBenzenoidCarbonyl groupCinnamaldehydeDialkylthioetherEnalHydrocarbon derivativeMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundOrganosulfur compoundSulfenyl compoundThioetherlogp2.42logs-3.44solubility7.04e-02 g/llogp2.73pka_strongest_basic-4.9iupac(2E)-2-[(methylsulfanyl)methyl]-3-phenylprop-2-enalaverage_mass192.277mono_mass192.060885696smilesCSC\C(C=O)=C\C1=CC=CC=C1formulaC11H12OSinchiInChI=1S/C11H12OS/c1-13-9-11(8-12)7-10-5-3-2-4-6-10/h2-8H,9H2,1H3/b11-7+inchikeyQJDHQEQDIWDMOT-YRNVUSSQSA-Npolar_surface_area17.07refractivity58.95polarizability21.4rotatable_bond_count4acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs24659Specdb::CMs160075Specdb::MsIr7430Specdb::MsIr7431Specdb::MsMs320605Specdb::MsMs320606Specdb::MsMs320607Specdb::MsMs368014Specdb::MsMs368015Specdb::MsMs368016Specdb::MsMs2296097Specdb::MsMs2296098Specdb::MsMs2296099Specdb::MsMs2643012Specdb::MsMs2643013Specdb::MsMs2643014HMDB37166#<Reference:0x000055567622e828>beanbroccoligreenweedy