1.0 2010-04-08 22:07:54 UTC 2020-02-24 19:10:48 UTC FDB008046 1,3-Dithiane Constituent of garlic and other Allium subspecies 1,3-Dithiane is found in soft-necked garlic and onion-family vegetables. 1,3 Dithiocyclohexane 1,3-Dithiacyclohexane 1,3-Dithian Dithiane-1,3 M-dithiane m-Dithiane, 8CI C4H8S2 120.236 120.006741636 1,3-dithiane 1,3-dithiane 505-23-7 C1CSCSC1 InChI=1S/C4H8S2/c1-2-5-4-6-3-1/h1-4H2 WQADWIOXOXRPLN-UHFFFAOYSA-N belongs to the class of organic compounds known as dithianes. Dithianes are compounds containing a dithiane moiety, which is composed of a cyclohexane core structure wherein two methylene units are replaced by sulfur centres. Dithianes Organic compounds Organoheterocyclic compounds Dithianes Aliphatic heteromonocyclic compounds Dialkylthioethers Dithioacetals Hydrocarbon derivatives 1,3-dithiane Aliphatic heteromonocyclic compound Dialkylthioether Hydrocarbon derivative Thioacetal Thioether dithiane logp 1.58 ALOGPS logs -2.04 ALOGPS solubility 1.10e+00 g/l ALOGPS melting_point Mp 54° logp 1.5 ChemAxon iupac 1,3-dithiane ChemAxon average_mass 120.236 ChemAxon mono_mass 120.006741636 ChemAxon smiles C1CSCSC1 ChemAxon formula C4H8S2 ChemAxon inchi InChI=1S/C4H8S2/c1-2-5-4-6-3-1/h1-4H2 ChemAxon inchikey WQADWIOXOXRPLN-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 34 ChemAxon polarizability 12.76 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4479 Specdb::MsIr 4480 Specdb::CMs 16838 Specdb::CMs 167094 Specdb::MsMs 8492 Specdb::MsMs 8493 Specdb::MsMs 8494 Specdb::MsMs 15164 Specdb::MsMs 15165 Specdb::MsMs 15166 Specdb::MsMs 2818332 Specdb::MsMs 2818333 Specdb::MsMs 2818334 Specdb::MsMs 2887873 Specdb::MsMs 2887874 Specdb::MsMs 2887875 HMDB31473 47845 #<Reference:0x000055ce323faf38> Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682 0.154 0.154 0.154 mg/100 g Welsh onion Type 1 specific Allium fistulosum 35875 alliaceous roasted