<?xml version="1.0" encoding="UTF-8"?>
<compound>
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  <common-name>9-[(4-methylphenyl)sulfanylmethyl]anthracene</common-name>
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  <cas nil="true"/>
  <pubchem-id>4101518</pubchem-id>
  <chemical-formula>C22H18S</chemical-formula>
  <weight>314.4</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">2026-08-30T10:54:34Z</created-at>
  <updated-at type="dateTime">2026-08-30T10:54:34Z</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>CC1=CC=C(C=C1)SCC2=C3C=CC=CC3=CC4=CC=CC=C42</moldb-smiles>
  <moldb-formula>C22H18S</moldb-formula>
  <moldb-inchi>InChI=1S/C22H18S/c1-16-10-12-19(13-11-16)23-15-22-20-8-4-2-6-17(20)14-18-7-3-5-9-21(18)22/h2-14H,15H2,1H3</moldb-inchi>
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  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.8</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>CHEM326265</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>9-[(4-methylphenyl)sulfanylmethyl]anthracene</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>Anthracenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0280921</sync-id>
  <structure-inchikey>DBQPVDIRYGUUTM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000800000000000000000000000000001000000000000000000000000004000000000000000000000000000000000000000000000000000100000000000000000000000000000000000000000000000000002000000000001000000800000000100000000000000000002000000000000000000000000040000001800000000000000000000000000100000010000001000000000000000000000090040000080000000000000000000000000000000000000000000000040000000000000000000000000000000000002000000200000000000000000100010001000040000000000080000000000000000000000000002000</structure-fingerprint>
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  <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@h�������@(������@h�������@h�������� ������`������@(������@(������@h�������@h�������@h�������@h�������@(������@h�������@(������@h�������@h�������@h�������@h�������@(�����������h���h���h���h���h��������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:32:56Z</structure-indexed-at>
</compound>
