45756 <common-name>Tris{4-[(4-acetylphenyl)sulfanyl]phenyl}sulfonium hexafluorophosphate</common-name> <description>Tris{4-[(4-acetylphenyl)sulfanyl]phenyl}sulfonium hexafluorophosphate belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. It has the formula C42H33F6O3PS4. With an average molecular weight of 858.93 g/mol, Tris{4-[(4-acetylphenyl)sulfanyl]phenyl}sulfonium hexafluorophosphate is a heavy molecule.</description> <cas>953084-13-4</cas> <pubchem-id>139598113</pubchem-id> <chemical-formula>C42H33F6O3PS4</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">2016-06-03T12:27:06Z</created-at> <updated-at type="dateTime">2026-04-05T17:15:53Z</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>F[P-](F)(F)(F)(F)F.CC(=O)C1=CC=C(SC2=CC=C(C=C2)[S+](C2=CC=C(SC3=CC=C(C=C3)C(C)=O)C=C2)C2=CC=C(SC3=CC=C(C=C3)C(C)=O)C=C2)C=C1</moldb-smiles> <moldb-formula>C42H33F6O3PS4</moldb-formula> <moldb-inchi>InChI=1S/C42H33O3S4.F6P/c1-28(43)31-4-10-34(11-5-31)46-37-16-22-40(23-17-37)49(41-24-18-38(19-25-41)47-35-12-6-32(7-13-35)29(2)44)42-26-20-39(21-27-42)48-36-14-8-33(9-15-36)30(3)45;1-7(2,3,4,5)6/h4-27H,1-3H3;/q+1;-1</moldb-inchi> <moldb-inchikey>YXSHMKGGFIQDGA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">858.93</moldb-average-mass> <moldb-mono-mass type="decimal">858.095435595</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>CHEM044651</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00006631</stoff-ident-id> <susdat-id>NS00078499</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>51.21</moldb-polar-surface-area> <moldb-refractivity>211.43940000000006</moldb-refractivity> <moldb-polarizability>79.9835310716872</moldb-polarizability> <moldb-rotatable-bond-count>12</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>15.564280319852436</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-6.91284770768275</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>6</moldb-number-of-rings> <moldb-alogps-logp>8.68</moldb-alogps-logp> <moldb-alogps-logs>-7.22</moldb-alogps-logs> <moldb-alogps-solubility>5.15e-05 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0160677</sync-id> <structure-inchikey>YXSHMKGGFIQDGA-UHFFFAOYSA-N</structure-inchikey> 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