1.0 2010-04-08 22:14:46 UTC 2019-11-26 03:18:24 UTC FDB020058 Dihydro-4,6-dimethyl-2-(1-methylethyl)-4H-1,3,5-dithiazine Isolated from dried squid aroma. Flavouring ingredient. Dihydro-4,6-dimethyl-2-(1-methylethyl)-4H-1,3,5-dithiazine is found in mollusks. Dihydro-4,6-dimethyl-2-(1-methylethyl)-4H-1,3,5-dithiazine, 9CI C8H17NS2 191.357 191.080240929 4,6-dimethyl-2-(propan-2-yl)-1,3,5-dithiazinane 2-isopropyl-4,6-dimethyl-1,3,5-dithiazinane 104691-40-9 CC(C)C1SC(C)NC(C)S1 InChI=1S/C8H17NS2/c1-5(2)8-10-6(3)9-7(4)11-8/h5-9H,1-4H3 ZNOHVVXGIQIPAU-UHFFFAOYSA-N belongs to the class of organic compounds known as 1,3,5-dithiazinanes. These are cyclic compounds that contain a dithiazinane ring, which is a saturated heterocycle that consisting of one nitrogen atom, two sulfur atoms at the 1-,3-, and 5- position, respectively. 1,3,5-dithiazinanes Organic compounds Organoheterocyclic compounds Azacyclic compounds Dithiazinanes Aliphatic heteromonocyclic compounds Dialkylamines Dialkylthioethers Dithioacetals Hydrocarbon derivatives Organopnictogen compounds Thiohemiaminal derivatives 1,3,5-dithiazinane Aliphatic heteromonocyclic compound Amine Dialkylthioether Hemithioaminal Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Secondary aliphatic amine Secondary amine Thioacetal Thioether logp 1.86 ALOGPS logs -2.55 ALOGPS solubility 5.38e-01 g/l ALOGPS logp 2.5 ChemAxon pka_strongest_basic 5.87 ChemAxon iupac 4,6-dimethyl-2-(propan-2-yl)-1,3,5-dithiazinane ChemAxon average_mass 191.357 ChemAxon mono_mass 191.080240929 ChemAxon smiles CC(C)C1SC(C)NC(C)S1 ChemAxon formula C8H17NS2 ChemAxon inchi InChI=1S/C8H17NS2/c1-5(2)8-10-6(3)9-7(4)11-8/h5-9H,1-4H3 ChemAxon inchikey ZNOHVVXGIQIPAU-UHFFFAOYSA-N ChemAxon polar_surface_area 12.03 ChemAxon refractivity 55.23 ChemAxon polarizability 22.06 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18430 Specdb::CMs 171163 Specdb::MsMs 306868 Specdb::MsMs 306869 Specdb::MsMs 306870 Specdb::MsMs 350650 Specdb::MsMs 350651 Specdb::MsMs 350652 Specdb::MsMs 2845811 Specdb::MsMs 2845812 Specdb::MsMs 2845813 Specdb::MsMs 2863224 Specdb::MsMs 2863225 Specdb::MsMs 2863226 HMDB40333 #<Reference:0x000055ce32253c20> Mollusks Unknown generic 6447