<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 03:51:38 UTC</creation_date>
  <update_date>2026-08-18 02:43:55 UTC</update_date>
  <accession/>
  <common_name>Calcium magnesium hydroxide</common_name>
  <class>SmallMolecule</class>
  <description>Calcium magnesium hydroxide is an organic compound with the chemical formula C10H19N2O4PS and an average molecular weight of 294.31 g/mol. Calcium magnesium hydroxide belongs to the organothiophosphorus compounds, a class of organophosphorus compounds within the organic compounds.

This substance has been identified in or released from 21 recorded sources across several sectors. Within the category of electrical and electronic equipment, it is associated with antennas, amplifiers, auxiliary devices, discharge lamps, and emergency protective devices, among six other sources. In the realm of food, food processing and cookware, the compound is linked to the processing of meats and the preparation of vinegar, wort, wine, or sparkling wine. Its presence is also recorded in building and construction materials, specifically in tents or canopies, ladders, and floors. Additionally, it is found in household items such as watch chains and in household cleaning and consumer products, including pipe accessories and other smoking requisites.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C10H19N2O4PS</chemical_formula>
  <average_molecular_weight>294.31</average_molecular_weight>
  <monisotopic_moleculate_weight>294.080315272</monisotopic_moleculate_weight>
  <iupac_name>N-(1-cyano-1-methylethyl)-2-[(diethoxyphosphoryl)sulfanyl]ethanimidic acid</iupac_name>
  <traditional_iupac>N-(1-cyano-1-methylethyl)-2-[(diethoxyphosphoryl)sulfanyl]ethanimidic acid</traditional_iupac>
  <cas_registry_number>39445-23-3</cas_registry_number>
  <smiles>CCOP(=O)(OCC)SCC(O)=NC(C)(C)C#N</smiles>
  <inchi>InChI=1S/C10H19N2O4PS/c1-5-15-17(14,16-6-2)18-7-9(13)12-10(3,4)8-11/h5-7H2,1-4H3,(H,12,13)</inchi>
  <inchikey>TWDJIKFUVRYBJF-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organophosphorus compounds</super_class>
    <class>Organothiophosphorus compounds</class>
    <sub_class/>
    <direct_parent>Organothiophosphorus compounds</direct_parent>
    <alternate_parents>
      <alternative_parent>Carboximidic acids</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Nitriles</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organooxygen compounds</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Propargyl-type 1,3-dipolar organic compounds</alternative_parent>
      <alternative_parent>Sulfenyl compounds</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Carbonitrile</substituent>
      <substituent>Carboximidic acid</substituent>
      <substituent>Carboximidic acid derivative</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Nitrile</substituent>
      <substituent>Organic 1,3-dipolar compound</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Organosulfur compound</substituent>
      <substituent>Organothiophosphorus compound</substituent>
      <substituent>Propargyl-type 1,3-dipolar organic compound</substituent>
      <substituent>Sulfenyl compound</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>Organophosphorus insecticides</descriptor>
      <descriptor>carboxamide</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>0.4</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>1.12</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-2.22</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.77e+00 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>1.52</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>4.5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>0.44</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>N-(1-cyano-1-methylethyl)-2-[(diethoxyphosphoryl)sulfanyl]ethanimidic acid</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>294.31</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>294.080315272</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCOP(=O)(OCC)SCC(O)=NC(C)(C)C#N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C10H19N2O4PS</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C10H19N2O4PS/c1-5-15-17(14,16-6-2)18-7-9(13)12-10(3,4)8-11/h5-7H2,1-4H3,(H,12,13)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>TWDJIKFUVRYBJF-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>91.91</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>71.64</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>29.24</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>8</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>1</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/>
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  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf83746b0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>77322</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>69741</chemspider_id>
  <kegg_id/>
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  <wikipidia/>
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</compound>
