<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4536</id>
  <title>T3D4482</title>
  <common-name>Captafol</common-name>
  <description>Captafol belongs to the family of Isoindoles and Derivatives. These are polycyclic compounds containing an isoindole moiety, which is structurally characterized by a cyclohexadiene fused to a pyrrole ring. It is a nonsystemic foliar agricultural fungicide, especially for potatoes.</description>
  <cas>2425-06-1</cas>
  <pubchem-id>17038</pubchem-id>
  <chemical-formula>C10H9Cl4NO2S</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>160 - 161°C</melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <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>2A, probably carcinogenic to humans. (L135)</carcinogenicity>
  <use-source>This is a man-made compound that is used as a pesticide.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T06:51:38Z</created-at>
  <updated-at type="dateTime">2026-03-26T23:26:52Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C18754</kegg-compound-id>
  <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>ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O</moldb-smiles>
  <moldb-formula>C10H9Cl4NO2S</moldb-formula>
  <moldb-inchi>InChI=1S/C10H9Cl4NO2S/c11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h1-2,5-6,9H,3-4H2</moldb-inchi>
  <moldb-inchikey>JHRWWRDRBPCWTF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">349.061</moldb-average-mass>
  <moldb-mono-mass type="decimal">346.910810055</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id>HMDB31669</hmdb-id>
  <chembl-id>CHEMBL1893263</chembl-id>
  <chemspider-id>16139</chemspider-id>
  <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>CHEM003442</chemdb-id>
  <dsstox-id>DTXSID4020242</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00005473</susdat-id>
  <iupac>2-[(1,1,2,2-tetrachloroethyl)sulfanyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione</iupac>
</compound>
