<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">363513</id>
  <title nil="true"/>
  <common-name>2-[(1-methyl-3,6-dihydro-2h-pyridin-4-yl)sulfanyl]ethanamine</common-name>
  <description>2-[(1-methyl-3,6-dihydro-2h-pyridin-4-yl)sulfanyl]ethanamine is a compound with the formula C8H16N2S. It has an average molecular weight of 172.29 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3047919</pubchem-id>
  <chemical-formula>C8H16N2S</chemical-formula>
  <weight>172.29</weight>
  <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">2026-09-01T13:06:27Z</created-at>
  <updated-at type="dateTime">2026-09-01T13:06:27Z</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>CN1CCC(=CC1)SCCN</moldb-smiles>
  <moldb-formula>C8H16N2S</moldb-formula>
  <moldb-inchi>InChI=1S/C8H16N2S/c1-10-5-2-8(3-6-10)11-7-4-9/h2H,3-7,9H2,1H3</moldb-inchi>
  <moldb-inchikey>MSBOOZSDLUKVDT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">172.1034197</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.2</logp>
  <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>CHEM359406</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>2-[(1-methyl-3,6-dihydro-2h-pyridin-4-yl)sulfanyl]ethanamine</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Pyridines and derivatives</klass>
  <subklass>Hydropyridines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0313546</sync-id>
  <structure-inchikey>MSBOOZSDLUKVDT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000800000000800000000000000000000010000000000000000000000000000000004000000000000000000000000000000000000000000000000000000000000004000000000000000000000000000000000000000000000000000000080000000000000100000000000020100000000000400000000000000000040000000000000000000004000001002000000000000020000000000000000000000040000040000080000000000000000000000008000000000000000000000000000000000000000000000000000000000000000204000040004000000000200008000020040000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������(�������h��������`������� ������`�������`�������`��������������������������������	�	
����B���������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:00:09Z</structure-indexed-at>
</compound>
