1.02010-04-08 22:11:36 UTC2019-11-26 03:11:07 UTCFDB0150332-Methyl-1,3-dithiolaneMaillard product from cysteine and glucose degradation. Flavouring ingredient; present in boiled beef volatiles. 2-Methyl-1,3-dithiolane is found in animal foods.1,3-Dithiolane, 2-methyl-2-Methyl-1,3-dithiacyclopentaneAcetaldehdye ethylene thioacetalFEMA 3705C4H8S2120.236120.0067416362-methyl-1,3-dithiolane1,3-dithiolane, 2-methyl-5616-51-3CC1SCCS1InChI=1S/C4H8S2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3CARJCVDELAMAEJ-UHFFFAOYSA-N belongs to the class of organic compounds known as 1,3-dithiolanes. These are organic compounds containing a 1,3-dithiolane ring. 1,3-dithiolane moiety is a 5-membered saturated aliphatic ring with three carbon atoms, and two sulfur atoms at the 1- and 3- ring positions.1,3-dithiolanesOrganic compoundsOrganoheterocyclic compoundsDithiolanes1,3-dithiolanesAliphatic heteromonocyclic compoundsDialkylthioethersDithioacetalsHydrocarbon derivatives1,3-dithiolaneAliphatic heteromonocyclic compoundDialkylthioetherHydrocarbon derivativeThioacetalThioetherlogp1.47logs-2.09solubility9.68e-01 g/llogp1.33iupac2-methyl-1,3-dithiolaneaverage_mass120.236mono_mass120.006741636smilesCC1SCCS1formulaC4H8S2inchiInChI=1S/C4H8S2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3inchikeyCARJCVDELAMAEJ-UHFFFAOYSA-Npolar_surface_area0refractivity34.24polarizability12.78rotatable_bond_count0acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::NmrOneD4492Specdb::MsIr7155Specdb::MsIr7156Specdb::CMs24173Specdb::CMs154223Specdb::MsMs43836Specdb::MsMs43837Specdb::MsMs43838Specdb::MsMs152121Specdb::MsMs152122Specdb::MsMs152123Specdb::MsMs2263657Specdb::MsMs2263658Specdb::MsMs2263659Specdb::MsMs3074658Specdb::MsMs3074659Specdb::MsMs3074660HMDB36179#<Reference:0x00005556755fe8a0>alliaceoussavorysmokysulfursulfurousvegetable