10262 <common-name>2-Propenoic acid, 2-methyl-, 2-sulfoethyl ester</common-name> <description nil="true"/> <cas>10595-80-9</cas> <pubchem-id>23678855</pubchem-id> <chemical-formula>C6H10O5S</chemical-formula> <weight>194.21</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-19T02:59:13Z</created-at> <updated-at type="dateTime">2026-04-16T21:08:12Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC(=C)C(=O)OCCS(O)(=O)=O</moldb-smiles> <moldb-formula>C6H10O5S</moldb-formula> <moldb-inchi>InChI=1S/C6H10O5S/c1-5(2)6(7)11-3-4-12(8,9)10/h1,3-4H2,2H3,(H,8,9,10)</moldb-inchi> <moldb-inchikey>PRAMZQXXPOLCIY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">194.2</moldb-average-mass> <moldb-mono-mass type="decimal">194.024894596</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>67122</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM009157</chemdb-id> <dsstox-id>DTXSID2061981</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00025938</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>80.67</moldb-polar-surface-area> <moldb-refractivity>41.1039</moldb-refractivity> <moldb-polarizability>17.81215562157366</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>-1.1021980949591512</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-6.834912532887274</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>-1.55</moldb-alogps-logp> <moldb-alogps-logs>-1.21</moldb-alogps-logs> <moldb-alogps-solubility>1.19e+01 g/l</moldb-alogps-solubility> </compound>