1.0 2010-04-08 22:07:54 UTC 2019-11-26 03:01:57 UTC FDB008047 1,4-Dithiane Food additive listed in the EAFUS food additive database (Jan. 2001). Flavouring used in seasonings. 1,4-Dithiane is found in garden tomato. 1,4-Dithiacyclohexane 1,4-Dithian 1,4-Dithiin, tetrahydro- Diethylene disulfide Diethylene disulphide FEMA 3831 P-dithane P-dithiane p-Dithiane, 8CI P-dithIIn, tetrahydro- Para-dithiane Tetrahydro-1,4-dithiin Tetrahydro-P-dithiin C4H8S2 120.236 120.006741636 1,4-dithiane 1,4-dithiane 505-29-3 C1CSCCS1 InChI=1S/C4H8S2/c1-2-6-4-3-5-1/h1-4H2 LOZWAPSEEHRYPG-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 Hydrocarbon derivatives 1,4-dithiane Aliphatic heteromonocyclic compound Dialkylthioether Hydrocarbon derivative Thioether dithiane logp 1.58 ALOGPS logs -2.04 ALOGPS solubility 1.11e+00 g/l ALOGPS melting_point Mp 112-113° logp 1.07 ChemAxon iupac 1,4-dithiane ChemAxon average_mass 120.236 ChemAxon mono_mass 120.006741636 ChemAxon smiles C1CSCCS1 ChemAxon formula C4H8S2 ChemAxon inchi InChI=1S/C4H8S2/c1-2-6-4-3-5-1/h1-4H2 ChemAxon inchikey LOZWAPSEEHRYPG-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 34.66 ChemAxon polarizability 12.72 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1721 Specdb::NmrOneD 3884 Specdb::NmrOneD 4155 Specdb::MsIr 4481 Specdb::MsIr 4482 Specdb::CMs 26165 Specdb::CMs 166091 Specdb::MsMs 45489 Specdb::MsMs 45490 Specdb::MsMs 45491 Specdb::MsMs 156408 Specdb::MsMs 156409 Specdb::MsMs 156410 Specdb::MsMs 2798207 Specdb::MsMs 2798208 Specdb::MsMs 2798209 Specdb::MsMs 2881127 Specdb::MsMs 2881128 Specdb::MsMs 2881129 HMDB31474 540 #<Reference:0x0000561271c739c0> Garden tomato Type 1 specific Solanum lycopersicum 4081 fishy garlic onion pyridine solvent sulfurous