<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">310778</id>
  <title nil="true"/>
  <common-name>3-(2-fluorophenyl)-4-[(e)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1h-1,2,4-triazole-5-thione</common-name>
  <description>3-(2-fluorophenyl)-4-[(e)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1h-1,2,4-triazole-5-thione is a compound with the formula C18H15FN4OS. It has an average molecular weight of 354.40 g/mol.</description>
  <cas>578006-04-9</cas>
  <pubchem-id>135630658</pubchem-id>
  <chemical-formula>C18H15FN4OS</chemical-formula>
  <weight>354.4</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">2026-08-29T06:26:00Z</created-at>
  <updated-at type="dateTime">2026-08-29T06:26:00Z</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>C=CCC1=C(C(=CC=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3F)O</moldb-smiles>
  <moldb-formula>C18H15FN4OS</moldb-formula>
  <moldb-inchi>InChI=1S/C18H15FN4OS/c1-2-6-12-7-5-8-13(16(12)24)11-20-23-17(21-22-18(23)25)14-9-3-4-10-15(14)19/h2-5,7-11,24H,1,6H2,(H,22,25)/b20-11+</moldb-inchi>
  <moldb-inchikey>UUSTXMITEPWKEV-RGVLZGJSSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">354.0950605</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.1</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>CHEM306671</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-fluorophenyl)-4-[(e)-(2-hydroxy-3-prop-2-enylphenyl)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>CED0261746</sync-id>
  <structure-inchikey>UUSTXMITEPWKEV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20800040000000000000000000000000204200000000000000000000000000008000208000002000000000000000401000000000000000000000008000000000000000000100100002100000000210000004000000000000000000110000010000000080000000002000000108000040000080000000000081000000000000800000200000000000000000000100000000000040000000000000000000000004400200080000000000000000000000000000000000000000000000000000042000000000840000000000000000042020000200000000000040000000008000000040000000000000800000000000000000080000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���h��������h��������`������@(������@(������@(������@h�������@h�������@h��������h��������(������@(������@(������@(������@8�������@(�������(������@(������@h�������@h�������@h�������@h�������@(�����	� ������h�������������������h���h���h���h���h��	 	
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  <structure-indexed-at type="dateTime">2026-09-19T05:18:05Z</structure-indexed-at>
</compound>
