<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 02:37:40 UTC</creation_date>
  <update_date>2026-08-25 02:30:44 UTC</update_date>
  <accession/>
  <common_name>Jodfenphos</common_name>
  <class>SmallMolecule</class>
  <description>Jodfenphos is an organic compound with the formula C8H8Cl2IO3PS and an average molecular weight of 412.99 g/mol. Jodfenphos belongs to the thiophosphoric acid esters, a subclass of organic thiophosphoric acids and derivatives within the organic compounds.

The compound has been identified in or released from 37 recorded sources. Within the category of electrical and electronic equipment, it is found in antennas, amplifiers, adjustable resistors, coils, auxiliary devices, and 22 additional sources. In building and construction, it is associated with floors, fencing, roofs, and tents or canopies. It is also found in household cleaning and consumer products, specifically tobacco smoke filters, cigar cigarettes, and bleaching agents. Other recorded sources include rosaries among household items, processing meats within food, food processing and cookware, and drinking water from drinking water and water supply sources. The recorded exposure route for this compound is oral.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>Iodenphos</synonym>
    <synonym>Iodofenphos</synonym>
    <synonym>O-2,5-dichloro-4-iodophenyl O,O-dimethyl phosphorothioate</synonym>
  </synonyms>
  <chemical_formula>C8H8Cl2IO3PS</chemical_formula>
  <average_molecular_weight>412.99</average_molecular_weight>
  <monisotopic_moleculate_weight>411.83535</monisotopic_moleculate_weight>
  <iupac_name>O-2,5-dichloro-4-iodophenyl O,O-dimethyl phosphorothioate</iupac_name>
  <traditional_iupac>iodofenphos</traditional_iupac>
  <cas_registry_number>18181-70-9</cas_registry_number>
  <smiles>COP(=S)(OC)OC1=C(Cl)C=C(I)C(Cl)=C1</smiles>
  <inchi>InChI=1S/C8H8Cl2IO3PS/c1-12-15(16,13-2)14-8-4-5(9)7(11)3-6(8)10/h3-4H,1-2H3</inchi>
  <inchikey>LFVLUOAHQIVABZ-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic acids and derivatives</super_class>
    <class>Organic thiophosphoric acids and derivatives</class>
    <sub_class>Thiophosphoric acid esters</sub_class>
    <direct_parent>Phenyl thiophosphates</direct_parent>
    <alternate_parents>
      <alternative_parent>Aryl chlorides</alternative_parent>
      <alternative_parent>Aryl iodides</alternative_parent>
      <alternative_parent>Dichlorobenzenes</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Iodobenzenes</alternative_parent>
      <alternative_parent>Organochlorides</alternative_parent>
      <alternative_parent>Organoiodides</alternative_parent>
      <alternative_parent>Organooxygen compounds</alternative_parent>
      <alternative_parent>Phenoxy compounds</alternative_parent>
      <alternative_parent>Thiophosphate triesters</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>1,4-dichlorobenzene</substituent>
      <substituent>Aromatic homomonocyclic compound</substituent>
      <substituent>Aryl chloride</substituent>
      <substituent>Aryl halide</substituent>
      <substituent>Aryl iodide</substituent>
      <substituent>Benzenoid</substituent>
      <substituent>Chlorobenzene</substituent>
      <substituent>Halobenzene</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Iodobenzene</substituent>
      <substituent>Monocyclic benzene moiety</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organochloride</substituent>
      <substituent>Organohalogen compound</substituent>
      <substituent>Organoiodide</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Phenoxy compound</substituent>
      <substituent>Phenyl thiophosphate</substituent>
      <substituent>Thiophosphate triester</substituent>
    </substituents>
    <molecular_framework>Aromatic homomonocyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>Organophosphorus insecticides</descriptor>
      <descriptor>organic thiophosphate</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>5.5</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>5.00</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-5.78</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>6.80e-04 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>4.8</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>O-2,5-dichloro-4-iodophenyl O,O-dimethyl phosphorothioate</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>412.99</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>411.83535</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>COP(=S)(OC)OC1=C(Cl)C=C(I)C(Cl)=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C8H8Cl2IO3PS</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C8H8Cl2IO3PS/c1-12-15(16,13-2)14-8-4-5(9)7(11)3-6(8)10/h3-4H,1-2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>LFVLUOAHQIVABZ-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>27.69</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>78.84</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>29.98</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bae947d20&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>28935</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>26915</chemspider_id>
  <kegg_id/>
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  <biocyc_id/>
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  <wikipidia/>
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</compound>
