<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-09-21 14:51:56 UTC</creation_date>
  <update_date>2026-09-21 14:52:30 UTC</update_date>
  <accession>FDB116608</accession>
  <name>2-Methylbutyl isothiocyanate</name>
  <description/>
  <synonyms>
    <synonym>1-isothiocyanato-2-methyl-butane</synonym>
    <synonym>1-isothiocyanato-2-methylbutane</synonym>
  </synonyms>
  <chemical_formula>C6H11NS</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight/>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles/>
  <inchi>InChI=1S/C6H11NS/c1-3-6(2)4-7-5-8/h6H,3-4H2,1-2H3</inchi>
  <inchikey>MKWQGOSIKKPMLW-UHFFFAOYSA-N</inchikey>
  <taxonomy>
  </taxonomy>
  <state/>
  <predicted_properties>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>formula</kind>
    <value>C6H11NS</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C6H11NS/c1-3-6(2)4-7-5-8/h6H,3-4H2,1-2H3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>MKWQGOSIKKPMLW-UHFFFAOYSA-N</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
  </spectra>
  <hmdb_id/>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
  </general_references>
  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
