1.0 2010-04-08 22:05:50 UTC 2025-11-18 22:53:02 UTC FDB003536 2,5-Dimethyltetrahydrothiophene 2,5-dimethyltetrahydrothiophene is a member of the class of compounds known as thiolanes. Thiolanes are organic compounds containing thiolane, a five-member saturated ring containing four carbon atoms and a sulfur atom. 2,5-dimethyltetrahydrothiophene can be found in soft-necked garlic, which makes 2,5-dimethyltetrahydrothiophene a potential biomarker for the consumption of this food product. C6H12S 116.22 116.06597156 2,5-dimethylthiolane 2,5-dimethylthiolane CC1CCC(C)S1 InChI=1S/C6H12S/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3 IBKCTZVPGMUZGZ-UHFFFAOYSA-N belongs to the class of organic compounds known as thiolanes. These are organic compounds containing thiolane, a five-member saturated ring containing four carbon atoms and a sulfur atom. Thiolanes Organic compounds Organoheterocyclic compounds Thiolanes Aliphatic heteromonocyclic compounds Dialkylthioethers Hydrocarbon derivatives Aliphatic heteromonocyclic compound Dialkylthioether Hydrocarbon derivative Thioether Thiolane logp 2.87 ALOGPS logs -2.69 ALOGPS solubility 2.37e-01 g/l ALOGPS logp 2.05 ChemAxon iupac 2,5-dimethylthiolane ChemAxon average_mass 116.22 ChemAxon mono_mass 116.06597156 ChemAxon smiles CC1CCC(C)S1 ChemAxon formula C6H12S ChemAxon inchi InChI=1S/C6H12S/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3 ChemAxon inchikey IBKCTZVPGMUZGZ-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 35.47 ChemAxon polarizability 13.89 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 44097 Specdb::MsMs 44098 Specdb::MsMs 44099 Specdb::MsMs 177438 Specdb::MsMs 177439 Specdb::MsMs 177440 Specdb::MsMs 3599204 Specdb::MsMs 3599205 Specdb::MsMs 3599206 Specdb::MsMs 3599207 Specdb::MsMs 3599208 Specdb::MsMs 3599209 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682 0.06 0.06 0.06 mg/100 g