46051 <common-name>Polycondensation product of 3-(trihydroxysilyl)propansulfonic acid and tetraethoxysilane</common-name> <description nil="true"/> <cas>70942-24-4</cas> <pubchem-id nil="true"/> <chemical-formula>C3H10O6SSi</chemical-formula> <weight nil="true"/> <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">2016-06-03T12:42:27Z</created-at> <updated-at type="dateTime">2026-04-06T13:47:10Z</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>O[Si](O)(O)CCCS(O)(=O)=O</moldb-smiles> <moldb-formula>C3H10O6SSi</moldb-formula> <moldb-inchi>InChI=1S/C3H10O6SSi/c4-10(5,6)2-1-3-11(7,8)9/h7-9H,1-3H2,(H,4,5,6)</moldb-inchi> <moldb-inchikey>WYTQXLFLAMZNNZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">202.25</moldb-average-mass> <moldb-mono-mass type="decimal">201.996735751</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM044946</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00007005</stoff-ident-id> <susdat-id>NS00126522</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>115.06</moldb-polar-surface-area> <moldb-refractivity>32.694599999999994</moldb-refractivity> <moldb-polarizability>16.425906805478526</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>6</moldb-acceptor-count> <moldb-donor-count>4</moldb-donor-count> <moldb-pka-strongest-acidic>-1.4593992562826221</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.599267353737022</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>-1.93</moldb-alogps-logp> <moldb-alogps-logs>-1.25</moldb-alogps-logs> <moldb-alogps-solubility>1.13e+01 g/l</moldb-alogps-solubility> </compound>