<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:15:39 UTC</creation_date>
  <update_date>2026-05-14 19:42:00 UTC</update_date>
  <accession/>
  <common_name>Zinc dibutyldithiocarbamate</common_name>
  <class>SmallMolecule</class>
  <description>Zinc dibutyldithiocarbamate belongs to the organic transition metal salts, a subclass of organic metal salts within the organic compounds. This compound has the chemical formula C18H36N2S4Zn and an average molecular weight of 474.12 g/mol.

In industrial applications, zinc dibutyldithiocarbamate serves multiple roles, acting as a biocide, antioxidant, catalyst, and chemical reaction regulator. It is further utilized as a UV stabilizer and as processing aids not otherwise specified. The substance is found in or released from ten recorded sources across various sectors. In the realm of electrical and electronic equipment, it is associated with communication cables or conductors, power cables, contacts, emergency protective devices, adjustable resistors, and one additional source. Within healthcare, pharmaceuticals, and veterinary products, it is found in vasoprotectives. Other recorded sources include drinking water, food contact materials in food processing and cookware, and non-electric simulated smoking devices among household cleaning and consumer products. Recorded exposure routes for this compound include oral, inhalation, cutaneous, and touch.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C18H36N2S4Zn</chemical_formula>
  <average_molecular_weight>474.12</average_molecular_weight>
  <monisotopic_moleculate_weight>472.105276</monisotopic_moleculate_weight>
  <iupac_name>zinc(2+) ion bis((dibutylcarbamothioyl)sulfanide)</iupac_name>
  <traditional_iupac>zinc(2+) ion bis((dibutylcarbamothioyl)sulfanide)</traditional_iupac>
  <cas_registry_number>136-23-2</cas_registry_number>
  <smiles>[Zn++].CCCCN(CCCC)C([S-])=S.CCCCN(CCCC)C([S-])=S</smiles>
  <inchi>InChI=1S/2C9H19NS2.Zn/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2</inchi>
  <inchikey>BOXSVZNGTQTENJ-UHFFFAOYSA-L</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic salts</super_class>
    <class>Organic metal salts</class>
    <sub_class>Organic transition metal salts</sub_class>
    <direct_parent>Organic transition metal salts</direct_parent>
    <alternate_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organonitrogen compounds</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Organosulfur compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organic transition metal salt</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Organosulfur compound</substituent>
    </substituents>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways>
    <pathway>
      <name>Zinc dibutyldithiocarbamate Drug Metabolism</name>
      <smpdb_id>SMP0130557</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Zinc dibutyldithiocarbamate Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0145122</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>3.94</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>6.65</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-5.79</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>7.76e-04 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>3.94</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>zinc(2+) ion bis((dibutylcarbamothioyl)sulfanide)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>474.12</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>472.105276</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[Zn++].CCCCN(CCCC)C([S-])=S.CCCCN(CCCC)C([S-])=S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C18H36N2S4Zn</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/2C9H19NS2.Zn/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>BOXSVZNGTQTENJ-UHFFFAOYSA-L</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>3.24</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>64.01</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>24.23</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>12</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>-1</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:0x00007f7226899118&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB14194</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>5284483</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
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</compound>
