<?xml version="1.0" encoding="UTF-8"?>
<compound>
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  <title nil="true"/>
  <common-name>(5z)-3-(3-iodophenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>6435078</pubchem-id>
  <chemical-formula>C17H13IN2O2S</chemical-formula>
  <weight>436.3</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">2026-08-28T22:47:34Z</created-at>
  <updated-at type="dateTime">2026-08-28T22:47:34Z</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>COC1=CC=CC=C1C=C2C(=O)N(C(=S)N2)C3=CC(=CC=C3)I</moldb-smiles>
  <moldb-formula>C17H13IN2O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C17H13IN2O2S/c1-22-15-8-3-2-5-11(15)9-14-16(21)20(17(23)19-14)13-7-4-6-12(18)10-13/h2-10H,1H3,(H,19,23)/b14-9-</moldb-inchi>
  <moldb-inchikey>YZMPRWMPUUYKBL-ZROIWOOFSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">435.97425</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>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>CHEM301133</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>(5z)-3-(3-iodophenyl)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one</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>Organoheterocyclic compounds</superklass>
  <klass>Azolidines</klass>
  <subklass>Imidazolidines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0256344</sync-id>
  <structure-inchikey>YZMPRWMPUUYKBL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>1000000000000000000040000000000000000000000000000000800000400000004000000020000400000000000000020000000000400000000000000000000000000020000000000000000000000020040000000300000000000000000000000000000000000040000000110000000000000100100040000000000000000001004048000000900000200000002000000000000100000100000040000000000000000000000000000000180000002000000000000000000000000000000080000000000000a00000000000000000000002000000040000000200000000000020000440000000040040000000000000000000000020000000000000000000</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������5� ���������� ��h���h���h���h���h��� �	(�	
 
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	�������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:14:02Z</structure-indexed-at>
</compound>
