1.02010-04-08 22:07:54 UTC2020-02-24 19:10:48 UTCFDB0080461,3-DithianeConstituent of garlic and other Allium subspecies 1,3-Dithiane is found in soft-necked garlic and onion-family vegetables.1,3 Dithiocyclohexane1,3-Dithiacyclohexane1,3-DithianDithiane-1,3M-dithianem-Dithiane, 8CIC4H8S2120.236120.0067416361,3-dithiane1,3-dithiane505-23-7C1CSCSC1InChI=1S/C4H8S2/c1-2-5-4-6-3-1/h1-4H2WQADWIOXOXRPLN-UHFFFAOYSA-N belongs to the class of organic compounds known as dithianes. Dithianes are compounds containing a dithiane moiety, which is composed of a cyclohexane core structure wherein two methylene units are replaced by sulfur centres.DithianesOrganic compoundsOrganoheterocyclic compoundsDithianesAliphatic heteromonocyclic compoundsDialkylthioethersDithioacetalsHydrocarbon derivatives1,3-dithianeAliphatic heteromonocyclic compoundDialkylthioetherHydrocarbon derivativeThioacetalThioetherdithianelogp1.58logs-2.04solubility1.10e+00 g/lmelting_pointMp 54°logp1.5iupac1,3-dithianeaverage_mass120.236mono_mass120.006741636smilesC1CSCSC1formulaC4H8S2inchiInChI=1S/C4H8S2/c1-2-5-4-6-3-1/h1-4H2inchikeyWQADWIOXOXRPLN-UHFFFAOYSA-Npolar_surface_area0refractivity34polarizability12.76rotatable_bond_count0acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::MsIr4479Specdb::MsIr4480Specdb::CMs16838Specdb::CMs167094Specdb::MsMs8492Specdb::MsMs8493Specdb::MsMs8494Specdb::MsMs15164Specdb::MsMs15165Specdb::MsMs15166Specdb::MsMs2818332Specdb::MsMs2818333Specdb::MsMs2818334Specdb::MsMs2887873Specdb::MsMs2887874Specdb::MsMs2887875HMDB3147347845#<Reference:0x000055567482aa30>Garden onionType 1specificAllium cepa4679Garden onion (var.)Type 1specificAllium cepa var. cepa4679Green onionType 1Onion-family vegetablesUnknowngenericRed onionType 1Soft-necked garlicType 1specificAllium sativum L. var. sativum46820.1540.1540.154mg/100 gWelsh onionType 1specificAllium fistulosum35875alliaceousroasted