1.0 2010-04-08 22:14:15 UTC 2015-07-21 06:34:39 UTC FDB019282 2,4,6-Trimethyl-1,3,5-dioxathiane Component of an onion-like flavouring Monothiotriacetaldehyde C6H12O2S 148.223 148.055800318 2,4,6-trimethyl-1,3,5-dioxathiane 2,4,6-trimethyl-1,3,5-dioxathiane 53897-55-5 CC1OC(C)SC(C)O1 InChI=1S/C6H12O2S/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3 WUHFWXZFUPGXHX-UHFFFAOYSA-N belongs to the class of organic compounds known as dioxathiolanes. These are organic heterocyclic compounds containing a dioxathiolane, with a structure consisting of a five-membered saturated ring with one sulfur atom, two oxygen atoms, and two carbon atoms. Dioxathiolanes Organic compounds Organoheterocyclic compounds Dioxathiolanes Aliphatic heteromonocyclic compounds Acetals Hydrocarbon derivatives Monothioacetals Oxacyclic compounds Acetal Aliphatic heteromonocyclic compound Dioxathiolane Hydrocarbon derivative Monothioacetal Organic oxygen compound Organooxygen compound Oxacycle logp 0.79 ALOGPS logs -0.86 ALOGPS solubility 2.06e+01 g/l ALOGPS melting_point Mp 53.5-54° logp 1.2 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 2,4,6-trimethyl-1,3,5-dioxathiane ChemAxon average_mass 148.223 ChemAxon mono_mass 148.055800318 ChemAxon smiles CC1OC(C)SC(C)O1 ChemAxon formula C6H12O2S ChemAxon inchi InChI=1S/C6H12O2S/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3 ChemAxon inchikey WUHFWXZFUPGXHX-UHFFFAOYSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 38.45 ChemAxon polarizability 15.99 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16221 Specdb::CMs 160266 Specdb::MsMs 71052 Specdb::MsMs 71053 Specdb::MsMs 71054 Specdb::MsMs 129660 Specdb::MsMs 129661 Specdb::MsMs 129662 Specdb::MsMs 2424178 Specdb::MsMs 2424179 Specdb::MsMs 2424180 Specdb::MsMs 2514442 Specdb::MsMs 2514443 Specdb::MsMs 2514444 Specdb::NmrOneD 34162 Specdb::NmrOneD 34163 Specdb::NmrOneD 34164 Specdb::NmrOneD 34165 Specdb::NmrOneD 34166 Specdb::NmrOneD 34167 Specdb::NmrOneD 34168 Specdb::NmrOneD 34169 Specdb::NmrOneD 34170 Specdb::NmrOneD 34171 Specdb::NmrOneD 34172 Specdb::NmrOneD 34173 Specdb::NmrOneD 34174 Specdb::NmrOneD 34175 Specdb::NmrOneD 34176 Specdb::NmrOneD 34177 Specdb::NmrOneD 34178 Specdb::NmrOneD 34179 Specdb::NmrOneD 34180 Specdb::NmrOneD 34181 HMDB39653 #<Reference:0x000055ce32dc0180>