<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3957</id>
  <title>T3D3902</title>
  <common-name>Primisulfuron-methyl</common-name>
  <description>Primisulfuron-methyl is a urea herbicide that is used on crop and non- crop areas for the control of grass weeds and many kinds of broad-leaved weeds. The compound is a selective postemergence systemic herbicide that is rapidly absorbed by plants and transported throughout the plant roots and foliage. The herbicide works by blocking cell growth in the active growing regions of the plant. The herbicide also acts to inhibit photosynthesis</description>
  <cas>86209-51-0</cas>
  <pubchem-id>101525</pubchem-id>
  <chemical-formula>C15H12F4N4O7S</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">2013-04-25T07:56:53Z</created-at>
  <updated-at type="dateTime">2026-03-31T17:45:49Z</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(C=CC=C1)S(=O)(=O)NC(=O)NC1=NC(OC(F)F)=CC(OC(F)F)=N1</moldb-smiles>
  <moldb-formula>C15H12F4N4O7S</moldb-formula>
  <moldb-inchi>InChI=1S/C15H12F4N4O7S/c1-28-11(24)7-4-2-3-5-8(7)31(26,27)23-15(25)22-14-20-9(29-12(16)17)6-10(21-14)30-13(18)19/h2-6,12-13H,1H3,(H2,20,21,22,23,25)</moldb-inchi>
  <moldb-inchikey>ZTYVMAQSHCZXLF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">468.337</moldb-average-mass>
  <moldb-mono-mass type="decimal">468.036282268</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1875740</chembl-id>
  <chemspider-id>91738</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>CHEM002863</chemdb-id>
  <dsstox-id>DTXSID8032463</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00009471</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>145.81</moldb-polar-surface-area>
  <moldb-refractivity>95.12040000000002</moldb-refractivity>
  <moldb-polarizability>38.156276074915446</moldb-polarizability>
  <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count>
  <moldb-acceptor-count>8</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic>3.456544481717573</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>0.3915788369888521</moldb-pka-strongest-basic>
  <moldb-physiological-charge>-1</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>2.50</moldb-alogps-logp>
  <moldb-alogps-logs>-3.97</moldb-alogps-logs>
  <moldb-alogps-solubility>4.96e-02 g/l</moldb-alogps-solubility>
</compound>
