<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">7876</id>
  <title nil="true"/>
  <common-name>3-(METHYLTHIO)-1-HEXANOL</common-name>
  <description nil="true"/>
  <cas>51755-66-9</cas>
  <pubchem-id>65413</pubchem-id>
  <chemical-formula>C7H16OS</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2016-05-19T02:17:29Z</created-at>
  <updated-at type="dateTime">2026-04-05T02:50:59Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCC(CCO)SC</moldb-smiles>
  <moldb-formula>C7H16OS</moldb-formula>
  <moldb-inchi>InChI=1S/C7H16OS/c1-3-4-7(9-2)5-6-8/h7-8H,3-6H2,1-2H3</moldb-inchi>
  <moldb-inchikey>JSASXSHMJYRPCM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">148.266</moldb-average-mass>
  <moldb-mono-mass type="decimal">148.092185824</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM006771</chemdb-id>
  <dsstox-id>DTXSID10866215</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00056372</susdat-id>
  <iupac>3-(methylsulfanyl)hexan-1-ol</iupac>
</compound>
