<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-20 14:55:06 UTC</creation_date>
  <update_date>2026-05-14 19:37:33 UTC</update_date>
  <accession/>
  <common_name>Iodoform</common_name>
  <class>SmallMolecule</class>
  <description>Iodoform (CHI3) is a compound with an average molecular weight of 393.73 g/mol. Iodoform belongs to the halomethanes, a subclass of alkyl halides within the organic compounds. Industrially, it is utilized as a fragrance and a biocide.

The compound is found in or released from 17 recorded sources across several categories. Within healthcare, pharmaceuticals, and veterinary products, it is used in medicated dressings, with topical application listed as a recorded exposure route. In the sector of food, food processing, and cookware, iodoform is associated with food preservation, processing meats, and fermentation processes for beer. It is also found in household cleaning and consumer products, including soap detergents, perfumes within detergents and soaps, bleaching agents, cigar cigarettes, and non-electric simulated smoking devices. Additionally, the compound is linked to electrical and electronic equipment, specifically electrodes, electric switches, antennas, electrically stimulated smoking devices, and conductors or conductive bodies characterised by the conductive materials, among three other sources.</description>
  <categories/>
  <types>
    <type>Human Neurotoxin</type>
  </types>
  <synonyms>
    <synonym>iodiform</synonym>
    <synonym>Triiodomethane</synonym>
    <synonym>triiodomethane</synonym>
  </synonyms>
  <chemical_formula>CHI3</chemical_formula>
  <average_molecular_weight>393.732</average_molecular_weight>
  <monisotopic_moleculate_weight>393.72124</monisotopic_moleculate_weight>
  <iupac_name>triiodomethane</iupac_name>
  <traditional_iupac>iodoform</traditional_iupac>
  <cas_registry_number>75-47-8</cas_registry_number>
  <smiles>IC(I)I</smiles>
  <inchi>InChI=1S/CHI3/c2-1(3)4/h1H</inchi>
  <inchikey>OKJPEAGHQZHRQV-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organohalogen compounds</super_class>
    <class>Alkyl halides</class>
    <sub_class>Halomethanes</sub_class>
    <direct_parent>Trihalomethanes</direct_parent>
    <alternate_parents>
      <alternative_parent>Alkyl iodides</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organoiodides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Alkyl iodide</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organoiodide</substituent>
      <substituent>Trihalomethane</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>iodomethanes</descriptor>
      <descriptor>one-carbon compound</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways>
    <pathway>
      <name>Iodoform Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0145013</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>4.65</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>2.82</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-3.44</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.43e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>4.65</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>triiodomethane</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>393.732</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>393.72124</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>IC(I)I</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>CHI3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/CHI3/c2-1(3)4/h1H</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>OKJPEAGHQZHRQV-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>45.24</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>17.59</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>0</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:0x00007f3bf0adbd70&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB13813</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>6374</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>6134</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
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  </targets>
</compound>
