<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">123970</id>
  <title nil="true"/>
  <common-name>[S-(1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-)sulfonimidoyl]benzene</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>138396361</pubchem-id>
  <chemical-formula>C10H6F9NOS</chemical-formula>
  <weight>359.21</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">2026-04-06T07:24:33Z</created-at>
  <updated-at type="dateTime">2026-08-26T19:38:27Z</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)S(=N)(=O)C1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C10H6F9NOS</moldb-formula>
  <moldb-inchi>InChI=1/C10H6F9NOS/c11-7(12,9(15,16)17)8(13,14)10(18,19)22(20,21)6-4-2-1-3-5-6/h1-5,20H</moldb-inchi>
  <moldb-inchikey>WXTMTRJFJBQPJW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">359.21</moldb-average-mass>
  <moldb-mono-mass type="decimal">359.0026388</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.7</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>CHEM119863</chemdb-id>
  <dsstox-id>DTXSID90896050</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00112134</susdat-id>
  <iupac>[S-(1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-)sulfonimidoyl]benzene</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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass nil="true"/>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0102926</sync-id>
  <structure-inchikey>WXTMTRJFJBQPJW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>100000002000002000000000000000000000000000000000000000000000000001000010020000000004000000000000000000000000000000000000100000000100000000000100000020000000000000000000002040000000000000000000000000000000000200000008000000000000000000000000000000000000000000800000000000000000000000000300000000000000000000000000000000000000000000080002000000000000240000080000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000000000040000000000000800000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€�	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ������h��������(������@(������@h�������@h�������@h�������@h�������@h��������������������������������	��
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  <structure-indexed-at type="dateTime">2026-09-19T04:47:02Z</structure-indexed-at>
</compound>
