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<compound>
  <version>1.0</version>
  <creation_date>2026-08-23 07:02:53 UTC</creation_date>
  <update_date>2026-08-23 07:02:53 UTC</update_date>
  <accession/>
  <common_name>Methyl (2s)-2-amino-4-methylsulfanylbutanoate</common_name>
  <class>SmallMolecule</class>
  <description>Methyl (2s)-2-amino-4-methylsulfanylbutanoate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the chemical formula C6H13NO2S and an average molecular weight of 163.24 g/mol.

The compound is associated with six recorded sources across various sectors. Within the category of food, food processing, and cookware, it is found in or released from the preparation of malt, the preparation of wort, the preparation of wine or sparkling wine, and fermentation processes for beer, as well as the treatment of hops. Additionally, it is linked to electrical and electronic equipment, specifically radio transmission systems.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C6H13NO2S</chemical_formula>
  <average_molecular_weight>163.24</average_molecular_weight>
  <monisotopic_moleculate_weight>163.0666998</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>10332-17-9</cas_registry_number>
  <smiles/>
  <inchi>InChI=1S/C6H13NO2S/c1-9-6(8)5(7)3-4-10-2/h5H,3-4,7H2,1-2H3/t5-/m0/s1</inchi>
  <inchikey>UIHPNZDZCOEZEN-YFKPBYRVSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <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>0.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>163.24</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>163.0666998</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C6H13NO2S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C6H13NO2S/c1-9-6(8)5(7)3-4-10-2/h5H,3-4,7H2,1-2H3/t5-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>UIHPNZDZCOEZEN-YFKPBYRVSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
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  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>64684</pubchem_compound_id>
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