1.0 2010-04-08 22:05:51 UTC 2025-11-18 22:53:03 UTC FDB003548 3-Vinyl-1,2-dithiacyclohex-4-ene 3-vinyl-1,2-dithiacyclohex-4-ene is a member of the class of compounds known as dithiins. Dithiins are compounds comprising a dithiin ring, which is an unsaturated six-member heterocycle containing four carbon atoms, two sulfur atoms and two double bonds. 3-vinyl-1,2-dithiacyclohex-4-ene can be found in soft-necked garlic, which makes 3-vinyl-1,2-dithiacyclohex-4-ene a potential biomarker for the consumption of this food product. 1,2-Dithi-4-ene, 3-ethenyl 3-ethenyl-1,2-dithi-4-ene 3-vinyl-1,2-dithi-4-ene 3-Vinyl-1,2-dithio-4-cyclohexene 3-Vinyl-1,2-dithiocyclohex-4-ene 3-Vinyl-3,6-dihydro-1,2-dithiine C6H8S2 144.258 144.006741636 3-ethenyl-3,6-dihydro-1,2-dithiine 3-ethenyl-3,6-dihydro-1,2-dithiine C=CC1SSCC=C1 InChI=1S/C6H8S2/c1-2-6-4-3-5-7-8-6/h2-4,6H,1,5H2 UQXHSMWBRGWFBK-UHFFFAOYSA-N belongs to the class of organic compounds known as dithiins. Dithiins are compounds comprising a dithiin ring, which is an unsaturated six-member heterocycle containing four carbon atoms, two sulfur atoms and two double bonds. Dithiins Organic compounds Organoheterocyclic compounds Dithiins Aliphatic heteromonocyclic compounds Hydrocarbon derivatives Organic disulfides 1,2-dithiin Aliphatic heteromonocyclic compound Hydrocarbon derivative Organic disulfide logp 2.31 ALOGPS logs -2.97 ALOGPS solubility 1.54e-01 g/l ALOGPS logp 2.42 ChemAxon iupac 3-ethenyl-3,6-dihydro-1,2-dithiine ChemAxon average_mass 144.258 ChemAxon mono_mass 144.006741636 ChemAxon smiles C=CC1SSCC=C1 ChemAxon formula C6H8S2 ChemAxon inchi InChI=1S/C6H8S2/c1-2-6-4-3-5-7-8-6/h2-4,6H,1,5H2 ChemAxon inchikey UQXHSMWBRGWFBK-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 44.25 ChemAxon polarizability 15.15 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 87060 Specdb::MsMs 87061 Specdb::MsMs 87062 Specdb::MsMs 149478 Specdb::MsMs 149479 Specdb::MsMs 149480 Specdb::MsMs 3599222 Specdb::MsMs 3599223 Specdb::MsMs 3599224 Specdb::MsMs 3600392 Specdb::MsMs 3600393 Specdb::MsMs 3600394 Asparagus Type 1 specific Asparagus officinalis 4686 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682