<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">122683</id>
  <title nil="true"/>
  <common-name>Bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfanyl)propyl] But-2-enedioate</common-name>
  <description>Bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfanyl)propyl] But-2-enedioate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. With an average molecular weight of 956.54 g/mol, Bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfanyl)propyl] But-2-enedioate is a heavy molecule. It has the chemical formula C26H22F26O4S2.

The compound is found in or released from 13 recorded sources across multiple sectors. Within electrical and electronic equipment, it is associated with batteries, capacitors, cell phones, printed circuit boards, wires and cables, and one additional source. In the textiles, leather and furnishings sector, it is found in carpets, rugs, and synthetic textiles. It is also present in food packaging within the food, food processing and cookware sector, and in medical devices within the healthcare, pharmaceuticals and veterinary products sector. Additionally, the compound is utilized as lubricants in both industrial manufacturing and chemical processing as well as in the energy, oil and gas sectors. One other sector is also recorded as a source. Recorded exposure routes for this compound include inhalation, oral, and touch.</description>
  <cas nil="true"/>
  <pubchem-id>2736066</pubchem-id>
  <chemical-formula>C26H22F26O4S2</chemical-formula>
  <weight>956.5</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">2026-04-06T06:00:31Z</created-at>
  <updated-at type="dateTime">2026-08-22T06:01:08Z</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>FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSCCCOC(=O)C=CC(=O)OCCCSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</moldb-smiles>
  <moldb-formula>C26H22F26O4S2</moldb-formula>
  <moldb-inchi>InChI=1S/C26H22F26O4S2/c27-15(28,17(31,32)19(35,36)21(39,40)23(43,44)25(47,48)49)5-11-57-9-1-7-55-13(53)3-4-14(54)56-8-2-10-58-12-6-16(29,30)18(33,34)20(37,38)22(41,42)24(45,46)26(50,51)52/h3-4H,1-2,5-12H2</moldb-inchi>
  <moldb-inchikey>TYMGDYKDZSSLJM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">956.54</moldb-average-mass>
  <moldb-mono-mass type="decimal">956.0544349</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>11.9</logp>
  <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>CHEM118576</chemdb-id>
  <dsstox-id>DTXSID40371105</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00110191</susdat-id>
  <iupac>Bis{3-[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfanyl]propyl} but-2-enedioate</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"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Fatty Acyls</klass>
  <subklass>Fatty acid esters</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0099600</sync-id>
  <structure-inchikey>TYMGDYKDZSSLJM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40021000000100000800000002800000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020100000020300000000000000000000000000010000000000000000000200000008000000004000080000000000000000000800004000000000000000000000000202000000000000000000010000000000080000000000000000000002000008000000040000000000000000000000000000000008000000100000000000000000000000000002000000000000000000000000000000000000000000010400800000000000000200800000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAA6AAAAOQAAAIABCQAgAAAAAQYAIAAAAAQJ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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:45:55Z</structure-indexed-at>
</compound>
