1.0 2010-04-08 22:05:50 UTC 2025-11-18 22:53:01 UTC FDB003531 1,2-Epithiopropane 1,2-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-Methylthiacyclopropane 2-Methylthiirane Episulphide deriv. MethylthIIrane Propane, 1,2-epithio- Propene sulfide Propylene episulfide Propylene sulfide Propylene sulphide Thiirane, 2-methyl- ThIIrane, methyl- C3H6S 74.145 74.019020882 2-methylthiirane thiirane, methyl- CC1CS1 InChI=1S/C3H6S/c1-3-2-4-3/h3H,2H2,1H3 MBNVSWHUJDDZRH-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. Thiiranes Organic compounds Organoheterocyclic compounds Thiiranes Aliphatic heteromonocyclic compounds Dialkylthioethers Hydrocarbon derivatives Aliphatic heteromonocyclic compound Dialkylthioether Hydrocarbon derivative Thiirane Thioether liquid logp 1.20 ALOGPS logs -0.79 ALOGPS solubility 1.20e+01 g/l ALOGPS melting_point -91 oC logp 0.92 ChemAxon iupac 2-methylthiirane ChemAxon average_mass 74.145 ChemAxon mono_mass 74.019020882 ChemAxon smiles CC1CS1 ChemAxon formula C3H6S ChemAxon inchi InChI=1S/C3H6S/c1-3-2-4-3/h3H,2H2,1H3 ChemAxon inchikey MBNVSWHUJDDZRH-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 21.72 ChemAxon polarizability 8.26 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 64758 Specdb::MsMs 64759 Specdb::MsMs 64760 Specdb::MsMs 122001 Specdb::MsMs 122002 Specdb::MsMs 122003 Specdb::MsMs 3599198 Specdb::MsMs 3599199 Specdb::MsMs 3599200 Specdb::MsMs 3599201 Specdb::MsMs 3599202 Specdb::MsMs 3599203 Garden onion Type 1 specific Allium cepa 4679 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682 0.088 0.088 0.088 mg/100 g