1.0 2019-08-07 19:55:41 UTC 2020-04-06 23:39:26 UTC FDB034850 Thymol Sulfate C10H14O4S 230.28 230.061280105 [5-methyl-2-(propan-2-yl)phenyl]oxidanesulfonic acid (2-isopropyl-5-methylphenyl)oxidanesulfonic acid CC(C)C1=C(OS(O)(=O)=O)C=C(C)C=C1 InChI=1S/C10H14O4S/c1-7(2)9-5-4-8(3)6-10(9)14-15(11,12)13/h4-7H,1-3H3,(H,11,12,13) NODSEPOUFZPJEQ-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. Phenylsulfates Organic compounds Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Aromatic homomonocyclic compounds Aromatic monoterpenoids Cumenes Hydrocarbon derivatives Monocyclic monoterpenoids Organic oxides Organooxygen compounds Phenoxy compounds Phenylpropanes Sulfuric acid monoesters Toluenes Aromatic homomonocyclic compound Aromatic monoterpenoid Benzenoid Cumene Hydrocarbon derivative Monocyclic benzene moiety Monocyclic monoterpenoid Monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound P-cymene Phenoxy compound Phenylpropane Phenylsulfate Sulfate-ester Sulfuric acid ester Sulfuric acid monoester Toluene aryl sulfate monoterpenoid logp 0.47 ALOGPS logs -2.67 ALOGPS solubility 4.93e-01 g/l ALOGPS logp 2.95 ChemAxon pka_strongest_acidic -1.7 ChemAxon iupac [5-methyl-2-(propan-2-yl)phenyl]oxidanesulfonic acid ChemAxon average_mass 230.28 ChemAxon mono_mass 230.061280105 ChemAxon smiles CC(C)C1=C(OS(O)(=O)=O)C=C(C)C=C1 ChemAxon formula C10H14O4S ChemAxon inchi InChI=1S/C10H14O4S/c1-7(2)9-5-4-8(3)6-10(9)14-15(11,12)13/h4-7H,1-3H3,(H,11,12,13) ChemAxon inchikey NODSEPOUFZPJEQ-UHFFFAOYSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 57.26 ChemAxon polarizability 22.95 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 36063 Specdb::CMs 146640 Specdb::MsMs 909277 Specdb::MsMs 909278 Specdb::MsMs 909279 Specdb::MsMs 956026 Specdb::MsMs 956027 Specdb::MsMs 956028 Specdb::MsMs 2675410 Specdb::MsMs 2675411 Specdb::MsMs 2675412 Specdb::MsMs 3033752 Specdb::MsMs 3033753 Specdb::MsMs 3033754 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823