<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">294884</id>
  <title nil="true"/>
  <common-name>3-(2-chlorophenyl)-4-[(e)-(4-fluorophenyl)methylideneamino]-1h-1,2,4-triazole-5-thione</common-name>
  <description>3-(2-chlorophenyl)-4-[(e)-(4-fluorophenyl)methylideneamino]-1h-1,2,4-triazole-5-thione belongs to the triazoles, a subclass of azoles within the organic compounds. It is classified as an organoheterocyclic compound with the formula C15H10ClFN4S. The compound has an average molecular weight of 332.80 g/mol.</description>
  <cas>478254-00-1</cas>
  <pubchem-id>6878341</pubchem-id>
  <chemical-formula>C15H10ClFN4S</chemical-formula>
  <weight>332.8</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">2026-08-28T10:43:22Z</created-at>
  <updated-at type="dateTime">2026-08-28T10:43:22Z</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>C1=CC=C(C(=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)F)Cl</moldb-smiles>
  <moldb-formula>C15H10ClFN4S</moldb-formula>
  <moldb-inchi>InChI=1S/C15H10ClFN4S/c16-13-4-2-1-3-12(13)14-19-20-15(22)21(14)18-9-10-5-7-11(17)8-6-10/h1-9H,(H,20,22)/b18-9+</moldb-inchi>
  <moldb-inchikey>HRQLYGMWMGGZIH-GIJQJNRQSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">332.0298734</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>CHEM290777</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>3-(2-chlorophenyl)-4-[(e)-(4-fluorophenyl)methylideneamino]-1h-1,2,4-triazole-5-thione</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>Azoles</klass>
  <subklass>Triazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0246349</sync-id>
  <structure-inchikey>HRQLYGMWMGGZIH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000020002040000000000000000000000000080200000000000002000000000000008000208002002000000000000000000000000000000000000000008000400000000000000000100000000000000210000004000000000000000000100000010000000080000000000000000100000000020080000000000000000000000000800000200000000000000000000100000000000000000000000000000000000000480000080000002000000000000000000000000000000000000000000000000000000000000000020010000000042000000200000000000042000000000000000040000000000000800000000000000000080000004000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€��@h�������@h�������@h�������@(������@(������@h�������@(������@(������@8�������@(�������(������@(�������(�������h�������@(������@h�������@h�������@(������@h�������@h������	� ������ �������h���h���h���h���h��� ��h���h��	h�	
(�	�h��� �(�� ��h���h���h���h���h���������h���h���h�B���������������	������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:06:23Z</structure-indexed-at>
</compound>
