<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">77308</id>
  <title nil="true"/>
  <common-name>3-(2,6-Dichlorophenyl)-6-(methylthio)-1,3,5-triazine-2,4(1H,3H)-dione</common-name>
  <description nil="true"/>
  <cas>63308-79-2</cas>
  <pubchem-id>6454579</pubchem-id>
  <chemical-formula>C10H7Cl2N3O2S1</chemical-formula>
  <weight nil="true"/>
  <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">2026-04-04T09:08:28Z</created-at>
  <updated-at type="dateTime">2026-04-04T09:08:28Z</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>CSC1=NC(=O)N(C(=O)N1)C1=C(Cl)C=CC=C1Cl</moldb-smiles>
  <moldb-formula>C10H7Cl2N3O2S1</moldb-formula>
  <moldb-inchi>InChI=1S/C10H7Cl2N3O2S/c1-18-8-13-9(16)15(10(17)14-8)7-5(11)3-2-4-6(7)12/h2-4H,1H3,(H,13,14,16,17)</moldb-inchi>
  <moldb-inchikey>BBDTZMZYBJMBRW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">304.15</moldb-average-mass>
  <moldb-mono-mass type="decimal">302.963603</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>4956890</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>CHEM073201</chemdb-id>
  <dsstox-id>DTXSID10212697</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00035415</susdat-id>
  <iupac>3-(2,6-dichlorophenyl)-6-methylsulfanyl-1H-1,3,5-triazine-2,4-dione</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"/>
</compound>
