<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365115</id>
  <title nil="true"/>
  <common-name>4-(hydroxymethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol</common-name>
  <description>4-(hydroxymethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol is a chemical compound with the formula C9H13NO2S. It has an average molecular weight of 199.27 g/mol.</description>
  <cas>20166-38-5</cas>
  <pubchem-id>211975</pubchem-id>
  <chemical-formula>C9H13NO2S</chemical-formula>
  <weight>199.27</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">2026-09-01T15:34:19Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:34:19Z</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>CC1=NC=C(C(=C1O)CO)CSC</moldb-smiles>
  <moldb-formula>C9H13NO2S</moldb-formula>
  <moldb-inchi>InChI=1S/C9H13NO2S/c1-6-9(12)8(4-11)7(3-10-6)5-13-2/h3,11-12H,4-5H2,1-2H3</moldb-inchi>
  <moldb-inchikey>YZCFCAJTKKMAAN-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">199.0666998</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.6</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>CHEM361008</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>4-(hydroxymethyl)-2-methyl-5-(methylsulfanylmethyl)pyridin-3-ol</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>Methylpyridines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315074</sync-id>
  <structure-inchikey>YZCFCAJTKKMAAN-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800800000800000000080000000000200002000002000000000800000000000000000000002000200040000000000000000000000000000000000000000000000000000000000000000000100000000020000000002000000000010000000400000000000000000000000000000000000000000000000000000040002000000000000000000000000000000000000000000000000000000000000000000004000000080000200000000000080000000000000000000100000008000000002000000000000000000000000000002000000000000000000000000000000000000040000000000000000200000000000000000000002000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������������€���`������@(������@(������@h�������@(������@(������@(�������h��������`�������`�������`������� ������`�����������h���h���h���h���h��� ����	��
�
�������h�B���������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:17Z</structure-indexed-at>
</compound>
