<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3988</id>
  <title>T3D3933</title>
  <common-name>Thiazopyr</common-name>
  <description>Thiazopyr is a herbicide used in the pre-emergent control of broadleaf weeds (chickweed, Lambsquarters, pigweed, etc.) and annual grasses (crabgrass, foxtail, itchgrass, etc.). It is commonly used in citrus (orange and grapefruit) orchards as well as sugar cane and pineapple farms. It is slightly toxic by acute oral and inhalation exposure and practically nontoxic by acute dermal exposure. It is considered to be moderately irritating to the skin and substantially irritating to the eye. There was no evidence of carcinogenic effects in an 18-month chronic/oncogenicity study in mice at dose levels up to and including 800 ppm (216 mg/kg/day). </description>
  <cas>117718-60-2</cas>
  <pubchem-id>91776</pubchem-id>
  <chemical-formula>C16H17F5N2O2S</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>77 - 79°C</melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility>0.0025 mg/mL at 20°C</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">2013-04-25T07:56:55Z</created-at>
  <updated-at type="dateTime">2026-03-26T18:33:33Z</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>COC(=O)C1=C(N=C(C(C2=NCCS2)=C1CC(C)C)C(F)(F)F)C(F)F</moldb-smiles>
  <moldb-formula>C16H17F5N2O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C16H17F5N2O2S/c1-7(2)6-8-9(15(24)25-3)11(13(17)18)23-12(16(19,20)21)10(8)14-22-4-5-26-14/h7,13H,4-6H2,1-3H3</moldb-inchi>
  <moldb-inchikey>YIJZJEYQBAAWRJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">396.375</moldb-average-mass>
  <moldb-mono-mass type="decimal">396.093089513</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>3.89</logp>
  <hmdb-id>HMDB37058</hmdb-id>
  <chembl-id>CHEMBL1886222</chembl-id>
  <chemspider-id>82873</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>CHEM002894</chemdb-id>
  <dsstox-id>DTXSID1032488</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00000490</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>51.55</moldb-polar-surface-area>
  <moldb-refractivity>88.5592</moldb-refractivity>
  <moldb-polarizability>34.15601557418417</moldb-polarizability>
  <moldb-rotatable-bond-count>7</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>3.0462615370563255</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>4.15</moldb-alogps-logp>
  <moldb-alogps-logs>-4.11</moldb-alogps-logs>
  <moldb-alogps-solubility>3.11e-02 g/l</moldb-alogps-solubility>
</compound>
