1.02010-04-08 22:05:42 UTC2015-07-20 21:51:56 UTCFDB003207ThialdineOccurs in a variety of foods and flavours and in food pyrolysis products [DFC]2,4,6-Trimethyl-[1,3,5]dithiazinaneFEMA 4018ThialdineC6H13NS2163.304163.0489408012,4,6-trimethyl-1,3,5-dithiazinane2,4,6-trimethyl-1,3,5-dithiazinane86241-90-9CC1NC(C)SC(C)S1InChI=1S/C6H13NS2/c1-4-7-5(2)9-6(3)8-4/h4-7H,1-3H3FBMVFHKKLDGLJA-UHFFFAOYSA-N belongs to the class of organic compounds known as 1,3,5-dithiazinanes. These are cyclic compounds that contain a dithiazinane ring, which is a saturated heterocycle that consisting of one nitrogen atom, two sulfur atoms at the 1-,3-, and 5- position, respectively.1,3,5-dithiazinanesOrganic compoundsOrganoheterocyclic compoundsAzacyclic compoundsDithiazinanesAliphatic heteromonocyclic compoundsDialkylaminesDialkylthioethersDithioacetalsHydrocarbon derivativesOrganopnictogen compoundsThiohemiaminal derivatives1,3,5-dithiazinaneAliphatic heteromonocyclic compoundAmineDialkylthioetherHemithioaminalHydrocarbon derivativeOrganic nitrogen compoundOrganonitrogen compoundOrganopnictogen compoundSecondary aliphatic amineSecondary amineThioacetalThioetherlogp1.30logs-1.72solubility3.12e+00 g/llogp1.39pka_strongest_basic5.87iupac2,4,6-trimethyl-1,3,5-dithiazinaneaverage_mass163.304mono_mass163.048940801smilesCC1NC(C)SC(C)S1formulaC6H13NS2inchiInChI=1S/C6H13NS2/c1-4-7-5(2)9-6(3)8-4/h4-7H,1-3H3inchikeyFBMVFHKKLDGLJA-UHFFFAOYSA-Npolar_surface_area12.03refractivity46.35polarizability18.22rotatable_bond_count0acceptor_count1donor_count1physiological_charge0formal_charge0Specdb::CMs22511Specdb::CMs150559Specdb::NmrOneD162749Specdb::NmrOneD162750Specdb::NmrOneD162751Specdb::NmrOneD162752Specdb::NmrOneD162753Specdb::NmrOneD162754Specdb::NmrOneD162755Specdb::NmrOneD162756Specdb::NmrOneD162757Specdb::NmrOneD162758Specdb::NmrOneD162759Specdb::NmrOneD162760Specdb::NmrOneD162761Specdb::NmrOneD162762Specdb::NmrOneD162763Specdb::NmrOneD162764Specdb::NmrOneD162765Specdb::NmrOneD162766Specdb::NmrOneD162767Specdb::NmrOneD162768Specdb::MsMs74145Specdb::MsMs74146Specdb::MsMs74147Specdb::MsMs133449Specdb::MsMs133450Specdb::MsMs133451Specdb::MsMs2721945Specdb::MsMs2721946Specdb::MsMs2721947Specdb::MsMs2959521Specdb::MsMs2959522Specdb::MsMs2959523