1.0 2010-04-08 22:11:36 UTC 2019-11-26 03:11:07 UTC FDB015033 2-Methyl-1,3-dithiolane Maillard 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-dithiacyclopentane Acetaldehdye ethylene thioacetal FEMA 3705 C4H8S2 120.236 120.006741636 2-methyl-1,3-dithiolane 1,3-dithiolane, 2-methyl- 5616-51-3 CC1SCCS1 InChI=1S/C4H8S2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3 CARJCVDELAMAEJ-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-dithiolanes Organic compounds Organoheterocyclic compounds Dithiolanes 1,3-dithiolanes Aliphatic heteromonocyclic compounds Dialkylthioethers Dithioacetals Hydrocarbon derivatives 1,3-dithiolane Aliphatic heteromonocyclic compound Dialkylthioether Hydrocarbon derivative Thioacetal Thioether logp 1.47 ALOGPS logs -2.09 ALOGPS solubility 9.68e-01 g/l ALOGPS logp 1.33 ChemAxon iupac 2-methyl-1,3-dithiolane ChemAxon average_mass 120.236 ChemAxon mono_mass 120.006741636 ChemAxon smiles CC1SCCS1 ChemAxon formula C4H8S2 ChemAxon inchi InChI=1S/C4H8S2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3 ChemAxon inchikey CARJCVDELAMAEJ-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 34.24 ChemAxon polarizability 12.78 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 4492 Specdb::MsIr 7155 Specdb::MsIr 7156 Specdb::CMs 24173 Specdb::CMs 154223 Specdb::MsMs 43836 Specdb::MsMs 43837 Specdb::MsMs 43838 Specdb::MsMs 152121 Specdb::MsMs 152122 Specdb::MsMs 152123 Specdb::MsMs 2263657 Specdb::MsMs 2263658 Specdb::MsMs 2263659 Specdb::MsMs 3074658 Specdb::MsMs 3074659 Specdb::MsMs 3074660 HMDB36179 #<Reference:0x000055ce30724300> alliaceous savory smoky sulfur sulfurous vegetable