<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3979</id>
  <title>T3D3924</title>
  <common-name>Sulfentrazone</common-name>
  <description>Sulfentrazone is a chemical used as a herbicide. It is the active ingredient in Dismiss as well as Solitare herbicides. It is effective for controlling sedges in turfgrass.</description>
  <cas>122836-35-5</cas>
  <pubchem-id>86369</pubchem-id>
  <chemical-formula>C11H10Cl2F2N4O3S</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>121 - 123°C</melting-point>
  <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>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">2013-04-25T07:56:54Z</created-at>
  <updated-at type="dateTime">2026-03-26T18:36:49Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C11125</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>CC1=NN(C(=O)N1C(F)F)C1=C(Cl)C=C(Cl)C(NS(C)(=O)=O)=C1</moldb-smiles>
  <moldb-formula>C11H10Cl2F2N4O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C11H10Cl2F2N4O3S/c1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h3-4,10,17H,1-2H3</moldb-inchi>
  <moldb-inchikey>OORLZFUTLGXMEF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">387.19</moldb-average-mass>
  <moldb-mono-mass type="decimal">385.98187272</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id>HMDB34852</hmdb-id>
  <chembl-id>CHEMBL1884669</chembl-id>
  <chemspider-id>77887</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>CHEM002885</chemdb-id>
  <dsstox-id>DTXSID6032645</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00000574</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>82.08000000000001</moldb-polar-surface-area>
  <moldb-refractivity>79.03829999999998</moldb-refractivity>
  <moldb-polarizability>32.76146964338977</moldb-polarizability>
  <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count>
  <moldb-acceptor-count>4</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>7.320682908268495</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-9.38467324422548</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>3.03</moldb-alogps-logp>
  <moldb-alogps-logs>-4.59</moldb-alogps-logs>
  <moldb-alogps-solubility>9.88e-03 g/l</moldb-alogps-solubility>
</compound>
