<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3983</id>
  <title>T3D3928</title>
  <common-name>Tebuthiuron</common-name>
  <description>Tebuthiuron is a nonselective broad spectrum herbicide of the urea class. It is used in a number of herbicides manufactured by Dow AgroSciences, and is sold under several trade names, depending on the formulation. It is used to control weeds, woody and herbaceous plants, and sugar cane. It is absorbed by the roots and transported to the leaves, where it inhibits photosynthesis.</description>
  <cas>34014-18-1</cas>
  <pubchem-id>5383</pubchem-id>
  <chemical-formula>C9H16N4OS</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>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">2026-03-26T23:55:40Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C18436</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>CNC(=O)N(C)C1=NN=C(S1)C(C)(C)C</moldb-smiles>
  <moldb-formula>C9H16N4OS</moldb-formula>
  <moldb-inchi>InChI=1S/C9H16N4OS/c1-9(2,3)6-11-12-8(15-6)13(5)7(14)10-4/h1-5H3,(H,10,14)</moldb-inchi>
  <moldb-inchikey>HBPDKDSFLXWOAE-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">228.315</moldb-average-mass>
  <moldb-mono-mass type="decimal">228.104481844</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1457493</chembl-id>
  <chemspider-id>5190</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"/>
  <chemdb-id>CHEM002889</chemdb-id>
  <dsstox-id>DTXSID3024316</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00005719</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>58.120000000000005</moldb-polar-surface-area>
  <moldb-refractivity>60.5579</moldb-refractivity>
  <moldb-polarizability>24.50646508152338</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>15.655569034790247</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-0.31561395838366757</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>1.59</moldb-alogps-logp>
  <moldb-alogps-logs>-2.89</moldb-alogps-logs>
  <moldb-alogps-solubility>2.93e-01 g/l</moldb-alogps-solubility>
</compound>
