123353 <common-name>Methyl 5-cyano-α-((perfluoropropyl)ethyl)sulfinyl-α,β-dimethyl-3-thiophenepropanoate</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C16H16F7NO3S2</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">2026-04-06T06:43:37Z</created-at> <updated-at type="dateTime">2026-05-21T06:45:09Z</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>COC(=O)C(C)(C(C)C1=CSC(=C1)C#N)S(=O)CCC(F)(F)C(F)(F)C(F)(F)F</moldb-smiles> <moldb-formula>C16H16F7NO3S2</moldb-formula> <moldb-inchi>InChI=1/C16H16F7NO3S2/c1-9(10-6-11(7-24)28-8-10)13(2,12(25)27-3)29(26)5-4-14(17,18)15(19,20)16(21,22)23/h6,8-9H,4-5H2,1-3H3</moldb-inchi> <moldb-inchikey>RQKLFAUYYSRELR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">467.42</moldb-average-mass> <moldb-mono-mass type="decimal">467.0459829</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>CHEM119246</chemdb-id> <dsstox-id>DTXSID60897478</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00111175</susdat-id> <iupac>Methyl 3-(5-cyanothiophen-3-yl)-2-(3,3,4,4,5,5,5-heptafluoropentane-1-sulfinyl)-2-methylbutanoate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> </compound>