<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">83288</id>
  <title nil="true"/>
  <common-name>4-Fluorophenyl 2-thienyl ketone</common-name>
  <description>4-Fluorophenyl 2-thienyl ketone belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This compound has the chemical formula C11H7FOS and an average molecular weight of 206.23 g/mol. It is further classified as an organic oxygen compound.</description>
  <cas>579-49-7</cas>
  <pubchem-id>68479</pubchem-id>
  <chemical-formula>C11H7FOS</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">2026-04-04T19:20:54Z</created-at>
  <updated-at type="dateTime">2026-04-04T19:20:54Z</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>FC1=CC=C(C=C1)C(=O)C1=CC=CS1</moldb-smiles>
  <moldb-formula>C11H7FOS</moldb-formula>
  <moldb-inchi>InChI=1/C11H7FOS/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h1-7H</moldb-inchi>
  <moldb-inchikey>NLTRJPXIYKYMKT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">206.23</moldb-average-mass>
  <moldb-mono-mass type="decimal">206.0201641</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>CHEM079181</chemdb-id>
  <dsstox-id>DTXSID70206618</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00042962</susdat-id>
  <iupac nil="true"/>
  <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>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbonyl compounds</subklass>
  <paper-count type="integer">130</paper-count>
  <sync-id>CED0017504</sync-id>
  <structure-inchikey>NLTRJPXIYKYMKT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>420000000000000001002000000000000000000000000000000000000040000000000000000000000000000000000100000000100000080000000000000000000000000000000000000000000000000020000010000010000000000000000000000000010000000000000000000000000010000000000000000000000000000000000000000000800000000000000000000000000000000000000000000000000000000000000000000000084000002000000000000000000000000000000000000001000000000000000000000000020000004000000000000200000100000000000000000000000040000000000400800000040000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€�	� �����@(������@h�������@h�������@(������@h�������@h��������(�������(������@(������@h�������@h�������@h�������@(�����������h���h���h���h���h��� ��(��	 	
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	������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:29:06Z</structure-indexed-at>
</compound>
