<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">291132</id>
  <title nil="true"/>
  <common-name>3-[(4-hydroxyanilino)methyl]-1h-benzimidazole-2-thione</common-name>
  <description>3-[(4-hydroxyanilino)methyl]-1h-benzimidazole-2-thione belongs to the benzimidazoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C14H13N3OS and an average molecular weight of 271.34 g/mol.</description>
  <cas>774132-51-3</cas>
  <pubchem-id>3056309</pubchem-id>
  <chemical-formula>C14H13N3OS</chemical-formula>
  <weight>271.34</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">2026-08-28T05:26:50Z</created-at>
  <updated-at type="dateTime">2026-08-28T05:26:50Z</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>C1=CC=C2C(=C1)NC(=S)N2CNC3=CC=C(C=C3)O</moldb-smiles>
  <moldb-formula>C14H13N3OS</moldb-formula>
  <moldb-inchi>InChI=1S/C14H13N3OS/c18-11-7-5-10(6-8-11)15-9-17-13-4-2-1-3-12(13)16-14(17)19/h1-8,15,18H,9H2,(H,16,19)</moldb-inchi>
  <moldb-inchikey>UJIDNHBMDZSSBF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">271.0779332</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.8</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>CHEM287025</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>3-[(4-hydroxyanilino)methyl]-1h-benzimidazole-2-thione</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>Benzimidazoles</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0242709</sync-id>
  <structure-inchikey>UJIDNHBMDZSSBF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400020000800040000100000000000000000100000000000000000000000280000000000000000000000000000000000000000000000000080000000000000004000000000000000000000000000000000000000000000040000000000000210000000010000000000000000000000100800000000000000000000040000000000000800000200000000080000000000100000000000000000000040000004000000000000000080000000080000000000000000000001000000000000000000010002000000000000000000000000000040000004200000021000040000000000000000040000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€��@h�������@h�������@h�������@(������@(������@h�������@8�������@(�������(������@(�������`�������h�������@(������@h�������@h�������@(������@h�������@h��������h���������h���h���h���h���h���h���h���(��	h�	
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���� �h��h���h���h���h��� ��h�	�h���h�B���������������	�����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:03:34Z</structure-indexed-at>
</compound>
