1.02010-04-08 22:05:50 UTC2019-11-26 02:59:22 UTCFDB0035311,2-Epithiopropane1,2-epithiopropane, also known as methylthiirane, is a member of the class of compounds known as thiiranes. Thiiranes are heterocyclic compounds containing a saturated three-member ring with two carbon atoms and one sulfur atom. 1,2-epithiopropane can be found in soft-necked garlic, which makes 1,2-epithiopropane a potential biomarker for the consumption of this food product. 2-Methylthiacyclopropane2-MethylthiiraneEpisulphide deriv.MethylthIIranePropane, 1,2-epithio-Propene sulfidePropylene episulfidePropylene sulfidePropylene sulphideThiirane, 2-methyl-ThIIrane, methyl-C3H6S74.14574.0190208822-methylthiiranethiirane, methyl-CC1CS1InChI=1S/C3H6S/c1-3-2-4-3/h3H,2H2,1H3MBNVSWHUJDDZRH-UHFFFAOYSA-N belongs to the class of organic compounds known as thiiranes. These are heterocyclic compounds containing a saturated three-member ring with two carbon atoms and one sulfur atom.ThiiranesOrganic compoundsOrganoheterocyclic compoundsThiiranesAliphatic heteromonocyclic compoundsDialkylthioethersHydrocarbon derivativesAliphatic heteromonocyclic compoundDialkylthioetherHydrocarbon derivativeThiiraneThioetherliquidlogp1.20logs-0.79solubility1.20e+01 g/lmelting_point-91 oClogp0.92iupac2-methylthiiraneaverage_mass74.145mono_mass74.019020882smilesCC1CS1formulaC3H6SinchiInChI=1S/C3H6S/c1-3-2-4-3/h3H,2H2,1H3inchikeyMBNVSWHUJDDZRH-UHFFFAOYSA-Npolar_surface_area0refractivity21.72polarizability8.26rotatable_bond_count0acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::MsMs64758Specdb::MsMs64759Specdb::MsMs64760Specdb::MsMs122001Specdb::MsMs122002Specdb::MsMs122003Specdb::MsMs3599198Specdb::MsMs3599199Specdb::MsMs3599200Specdb::MsMs3599201Specdb::MsMs3599202Specdb::MsMs3599203Garden onionType 1specificAllium cepa4679Soft-necked garlicType 1specificAllium sativum L. var. sativum46820.0880.0880.088mg/100 g