<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3962</id>
  <title>T3D3907</title>
  <common-name>Propargite</common-name>
  <description>Propargite (IUPAC name 2-(4-tert-butylphenoxy)cyclohexyl prop-2-yne-1-sulfonate, trade names Omite and Comite) is a pesticide used to kill mites (an acaricide). Symptoms of exposure and poisoning to it are eye and skin irritation, as well as sensitization. It is highly toxic to amphibians, fish, and zooplankton, as well as having potential carcinogenity.</description>
  <cas>2312-35-8</cas>
  <pubchem-id>4936</pubchem-id>
  <chemical-formula>C19H26O4S</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <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>Not listed by IARC.</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">2013-04-25T07:56:54Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:34Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C18602</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>39300</chebi-id>
  <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>CC(C)(C)C1=CC=C(OC2CCCCC2OS(=O)OCC#C)C=C1</moldb-smiles>
  <moldb-formula>C19H26O4S</moldb-formula>
  <moldb-inchi>InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3</moldb-inchi>
  <moldb-inchikey>InChIKey=ZYHMJXZULPZUED-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">350.472</moldb-average-mass>
  <moldb-mono-mass type="decimal">350.15518001</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1416084</chembl-id>
  <chemspider-id>4767</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></synthesis-reference>
  <structure-image-caption nil="true"/>
</compound>
