1.0 2010-04-08 22:07:50 UTC 2025-11-18 23:05:56 UTC FDB007924 trans-3,5-Diethyl-1,2,4,-trithiolane Trans-3,5-diethyl-1,2,4,-trithiolane can be found in garden onion, which makes trans-3,5-diethyl-1,2,4,-trithiolane a potential biomarker for the consumption of this food product. 1,2,4-Trithiolane, 3,5-diethyl-, (3R,5R)-rel- 1,2,4-Trithiolane, 3,5-diethyl-, trans- trans-3,5-Diethyl-1,2,4-trithiolane C6H12S3 180.354 180.010112454 (3R,5R)-3,5-diethyl-1,2,4-trithiolane (3R,5R)-3,5-diethyl-1,2,4-trithiolane 38348-26-4 CC[C@H]1SS[C@H](CC)S1 InChI=1S/C6H12S3/c1-3-5-7-6(4-2)9-8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1 WQXXXHMEBYGSBG-PHDIDXHHSA-N belongs to the class of organic compounds known as trithiolanes. These are organic compounds containing a six-member aliphatic saturated heterocycle made up of three sulfur atoms and two carbon atoms. Trithiolanes Organic compounds Organoheterocyclic compounds Trithiolanes Aliphatic heteromonocyclic compounds Dialkylthioethers Hydrocarbon derivatives Organic disulfides Aliphatic heteromonocyclic compound Dialkylthioether Hydrocarbon derivative Organic disulfide Thioether Trithiolane logp 3.34 ALOGPS logs -3.08 ALOGPS solubility 1.51e-01 g/l ALOGPS logp 3.3 ChemAxon iupac (3R,5R)-3,5-diethyl-1,2,4-trithiolane ChemAxon average_mass 180.354 ChemAxon mono_mass 180.010112454 ChemAxon smiles CC[C@H]1SS[C@H](CC)S1 ChemAxon formula C6H12S3 ChemAxon inchi InChI=1S/C6H12S3/c1-3-5-7-6(4-2)9-8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1 ChemAxon inchikey WQXXXHMEBYGSBG-PHDIDXHHSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 50.71 ChemAxon polarizability 19.41 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 87402 Specdb::MsMs 87403 Specdb::MsMs 87404 Specdb::MsMs 149898 Specdb::MsMs 149899 Specdb::MsMs 149900 Specdb::MsMs 3604559 Specdb::MsMs 3604560 Specdb::MsMs 3604561 Specdb::MsMs 3604562 Specdb::MsMs 3604563 Specdb::MsMs 3604564 Garden onion Type 1 specific Allium cepa 4679