<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4553</id>
  <title>T3D4499</title>
  <common-name>Dithiopyr</common-name>
  <description>Dithiopyr is a chemical used as a pre-emergent herbicide used to prevent crabgrass seeds from sprouting in the spring. Dithiopyr may alter microtubule polymerization and stability by interacting with microtubule associated proteins and/or microtubule organizing centers rather than interaction directly with tubulin.</description>
  <cas>97886-45-8</cas>
  <pubchem-id>91757</pubchem-id>
  <chemical-formula>C15H16F5NO2S2</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point></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>No indication of carcinogenicity to humans (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">2014-08-29T06:51:42Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:51Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C18826</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>CSC(=O)C1=C(CC(C)C)C(C(=O)SC)=C(N=C1C(F)F)C(F)(F)F</moldb-smiles>
  <moldb-formula>C15H16F5NO2S2</moldb-formula>
  <moldb-inchi>InChI=1S/C15H16F5NO2S2/c1-6(2)5-7-8(13(22)24-3)10(12(16)17)21-11(15(18,19)20)9(7)14(23)25-4/h6,12H,5H2,1-4H3</moldb-inchi>
  <moldb-inchikey>InChIKey=YUBJPYNSGLJZPQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">401.415</moldb-average-mass>
  <moldb-mono-mass type="decimal">401.054261166</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1902931</chembl-id>
  <chemspider-id>82855</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>
