1.0 2020-04-06 11:15:02 UTC 2025-11-19 03:10:41 UTC FDB111724 Phenol sulphate C6H6O4S 174.174 173.99867937 phenyloxidanesulfonic acid phenylsulfate OS(=O)(=O)OC1=CC=CC=C1 InChI=1S/C6H6O4S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H,7,8,9) CTYRPMDGLDAWRQ-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 Hydrocarbon derivatives Organic oxides Organooxygen compounds Phenoxy compounds Sulfuric acid monoesters Aromatic homomonocyclic compound Benzenoid Hydrocarbon derivative Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenoxy compound Phenylsulfate Sulfate-ester Sulfuric acid ester Sulfuric acid monoester aryl sulfate logp -0.75 ALOGPS logs -1.69 ALOGPS solubility 3.57e+00 g/l ALOGPS logp 1.19 ChemAxon pka_strongest_acidic -2.2 ChemAxon iupac phenyloxidanesulfonic acid ChemAxon average_mass 174.174 ChemAxon mono_mass 173.99867937 ChemAxon smiles OS(=O)(=O)OC1=CC=CC=C1 ChemAxon formula C6H6O4S ChemAxon inchi InChI=1S/C6H6O4S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H,7,8,9) ChemAxon inchikey CTYRPMDGLDAWRQ-UHFFFAOYSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 38.03 ChemAxon polarizability 15.03 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Metabolism and Physiological Effects of Phenyl sulfate SMP0123213 Metabolism and Physiological Effects of Phenol sulphate SMP0126844 Specdb::CMs 36780 Specdb::CMs 148372 Specdb::MsIr 9834 Specdb::MsIr 9835 Specdb::MsIr 9836 Specdb::MsMs 23354 Specdb::MsMs 23355 Specdb::MsMs 23356 Specdb::MsMs 30152 Specdb::MsMs 30153 Specdb::MsMs 30154 Specdb::MsMs 2256668 Specdb::MsMs 2257906 Specdb::MsMs 3224269 Specdb::MsMs 3224270 Specdb::MsMs 3224271 Specdb::MsMs 3225226 Specdb::MsMs 3225227 Specdb::MsMs 3225228 Specdb::NmrOneD 55522 Specdb::NmrOneD 55523 Specdb::NmrOneD 55524 Specdb::NmrOneD 55525 Specdb::NmrOneD 55526 Specdb::NmrOneD 55527 Specdb::NmrOneD 55528 Specdb::NmrOneD 55529 Specdb::NmrOneD 55530 Specdb::NmrOneD 55531 Specdb::NmrOneD 55532 Specdb::NmrOneD 55533 Specdb::NmrOneD 55534 Specdb::NmrOneD 55535 Specdb::NmrOneD 55536 Specdb::NmrOneD 55537 Specdb::NmrOneD 55538 Specdb::NmrOneD 55539 Specdb::NmrOneD 55540 Specdb::NmrOneD 55541 HMDB0060015 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