<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-26 01:03:58 UTC</creation_date>
  <update_date>2026-04-17 19:07:18 UTC</update_date>
  <accession/>
  <common_name>Hydrocyanite</common_name>
  <class>SmallMolecule</class>
  <description>Hydrocyanite is an inorganic compound with the chemical formula CuH10O9S and an average molecular weight of 249.69 g/mol. Hydrocyanite belongs to the transition metal sulfates, a subclass of transition metal oxoanionic compounds within the inorganic compounds. It is classified as a mixed metal/non-metal compound.

Industrially, the compound is utilized as a biocide, as well as a flavouring and nutrient. Hydrocyanite is found in or released from 43 recorded sources. Within electrical and electronic equipment, it is associated with antennas, amplifiers, adjustable resistors, auxiliary devices, and coils, among 18 other items. It is present in building and construction materials, including roofs, ceilings, ladders, fencing, and stairs and ramps, as well as one other source. Household items such as watch chains also contain the compound. In the category of household cleaning and consumer products, it is found in bleaching agents, cigar cigarettes, pipe accessories, tobacco product moisture control, non electric simulated smoking devices, and one additional source. Furthermore, it is linked to food, food processing, and cookware, specifically in cellar tools, the preparation of vinegar, the preparation of wort, the preparation of wine or sparkling wine, and fermentation processes for beer, among two other sources. Literature supports inhalation as a route of exposure (PMC12202419).</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>CuH10O9S</chemical_formula>
  <average_molecular_weight>249.685</average_molecular_weight>
  <monisotopic_moleculate_weight>248.934153687</monisotopic_moleculate_weight>
  <iupac_name>copper(2+) ion pentahydrate sulfate</iupac_name>
  <traditional_iupac>copper(2+) ion pentahydrate sulfate</traditional_iupac>
  <cas_registry_number>7758-99-8</cas_registry_number>
  <smiles>O.O.O.O.O.[Cu++].[O-]S([O-])(=O)=O</smiles>
  <inchi>InChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2/q+2;;;;;;/p-2</inchi>
  <inchikey>JZCCFEFSEZPSOG-UHFFFAOYSA-L</inchikey>
  <taxonomy>
    <kingdom>Inorganic compounds</kingdom>
    <super_class>Mixed metal/non-metal compounds</super_class>
    <class>Transition metal oxoanionic compounds</class>
    <sub_class>Transition metal sulfates</sub_class>
    <direct_parent>Transition metal sulfates</direct_parent>
    <alternate_parents>
      <alternative_parent>Inorganic copper salts</alternative_parent>
      <alternative_parent>Inorganic oxides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Inorganic copper salt</substituent>
      <substituent>Inorganic oxide</substituent>
      <substituent>Inorganic salt</substituent>
      <substituent>Transition metal sulfate</substituent>
    </substituents>
    <molecular_framework/>
    <descriptors>
      <descriptor>hydrate</descriptor>
      <descriptor>metal sulfate</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-0.84</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>-3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>copper(2+) ion pentahydrate sulfate</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>249.685</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>248.934153687</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>O.O.O.O.O.[Cu++].[O-]S([O-])(=O)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>CuH10O9S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/Cu.H2O4S.5H2O/c;1-5(2,3)4;;;;;/h;(H2,1,2,3,4);5*1H2/q+2;;;;;;/p-2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>JZCCFEFSEZPSOG-UHFFFAOYSA-L</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>80.26</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>11.53</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>5.81</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>-2</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:0x00007f7227f003c0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>24463</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
