1.0 2010-04-08 22:07:58 UTC 2025-11-18 23:07:39 UTC FDB008190 (-)-cis-2-Methyl-4-propyl-1,3-oxathiane Less powerful odorant than the (2S,4R)-form, with fresher, more ester-type odour and taste 2-Methyl-4-propyl-1,3-oxathiane, 9CI; (-)-cis-form C8H16OS 160.277 160.092185824 2-methyl-4-propyl-1,3-oxathiane 2-methyl-4-propyl-1,3-oxathiane 90243-46-2 CCCC1CCOC(C)S1 InChI=1S/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3 GKGOLPMYJJXRGD-UHFFFAOYSA-N belongs to the class of organic compounds known as oxathianes. Oxathianes are compounds containing an oxathiane moiety, which consists of a saturated aliphatic six-member ring with one oxygen atom, a sulfur atom, and four carbon atoms. Isomers of oxaphospholane include 1,2-oxathiane, 1,3-oxathiane,and 1,4-oxathiane. Oxathianes Organic compounds Organoheterocyclic compounds Oxathianes Aliphatic heteromonocyclic compounds Hydrocarbon derivatives Monothioacetals Organooxygen compounds Oxacyclic compounds 1,3-oxathiane Aliphatic heteromonocyclic compound Hydrocarbon derivative Monothioacetal Organic oxygen compound Organooxygen compound Oxacycle organosulfur heterocyclic compound oxacycle logp 3.48 ALOGPS logs -3.21 ALOGPS solubility 9.79e-02 g/l ALOGPS logp 2.19 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2-methyl-4-propyl-1,3-oxathiane ChemAxon average_mass 160.277 ChemAxon mono_mass 160.092185824 ChemAxon smiles CCCC1CCOC(C)S1 ChemAxon formula C8H16OS ChemAxon inchi InChI=1S/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3 ChemAxon inchikey GKGOLPMYJJXRGD-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 46.37 ChemAxon polarizability 19.03 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22069 Specdb::CMs 150289 Specdb::MsMs 71364 Specdb::MsMs 71365 Specdb::MsMs 71366 Specdb::MsMs 130014 Specdb::MsMs 130015 Specdb::MsMs 130016 Specdb::MsMs 2450041 Specdb::MsMs 2450042 Specdb::MsMs 2450043 Specdb::MsMs 2486178 Specdb::MsMs 2486179 Specdb::MsMs 2486180 HMDB0031572