<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">123480</id>
  <title nil="true"/>
  <common-name>3,3,4,4,5,5,6,6,6-Nonafluorohexyl thiocyanate</common-name>
  <description>3,3,4,4,5,5,6,6,6-Nonafluorohexyl thiocyanate is a chemical compound with the formula C7H4F9NS and an average molecular weight of 305.16 g/mol. 

This substance is found in or released from 13 recorded sources across several sectors. Within Electrical &amp; Electronic Equipment, it is associated with batteries, capacitors, printed circuit boards, wires and cables, cell phones, and one additional source. In the Textiles, leather &amp; furnishings sector, it is found in synthetic textiles as well as carpets and rugs. It is also present in food packaging within the Food, food processing &amp; cookware sector, and in medical devices within the Healthcare, pharmaceuticals &amp; veterinary products sector. Additionally, it is used as a lubricant in both the Energy, oil &amp; gas sector and the Industrial manufacturing &amp; chemical processing sector, with one other sector also recorded. Recorded exposure routes for this compound include inhalation, oral, and touch.</description>
  <cas>26650-08-8</cas>
  <pubchem-id>14223272</pubchem-id>
  <chemical-formula>C7H4F9NS</chemical-formula>
  <weight>305.17</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">2026-04-06T06:50:00Z</created-at>
  <updated-at type="dateTime">2026-08-24T01:30:11Z</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)CCSC#N</moldb-smiles>
  <moldb-formula>C7H4F9NS</moldb-formula>
  <moldb-inchi>InChI=1S/C7H4F9NS/c8-4(9,1-2-18-3-17)5(10,11)6(12,13)7(14,15)16/h1-2H2</moldb-inchi>
  <moldb-inchikey>GGOWJPVBRDJYHL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">305.16</moldb-average-mass>
  <moldb-mono-mass type="decimal">304.9920741</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.4</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>CHEM119373</chemdb-id>
  <dsstox-id>DTXSID70895521</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00111412</susdat-id>
  <iupac>3,3,4,4,5,5,6,6,6-Nonafluorohexyl thiocyanate</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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer">1</paper-count>
  <sync-id>CED0061567</sync-id>
  <structure-inchikey>GGOWJPVBRDJYHL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>100000800000002800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000020000000000000000000200000000000000000000000200000008000000000000000000000000000000010800000000000000000008001000000202000000000000000000010000000000080000000000000000008002000000000000040000000000000000000000000000000000000000100000000000000000000000000000000000000000000000000000000000000000000000000000800000000000000000080000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€�	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������`�������`������� ������(�������(�������������������������������	��
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  <structure-indexed-at type="dateTime">2026-09-19T04:46:39Z</structure-indexed-at>
</compound>
