<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">277419</id>
  <title nil="true"/>
  <common-name>2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide</common-name>
  <description>2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide belongs to the triazoles, a subclass of azoles within the organic compounds. This organoheterocyclic compound has the formula C10H10ClN5OS and an average molecular weight of 283.74 g/mol.</description>
  <cas>573947-54-3</cas>
  <pubchem-id>936305</pubchem-id>
  <chemical-formula>C10H10ClN5OS</chemical-formula>
  <weight>283.74</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">2026-08-26T17:14:10Z</created-at>
  <updated-at type="dateTime">2026-08-26T17:14:10Z</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(=CC(=C1)Cl)C2=NN=C(N2N)SCC(=O)N</moldb-smiles>
  <moldb-formula>C10H10ClN5OS</moldb-formula>
  <moldb-inchi>InChI=1S/C10H10ClN5OS/c11-7-3-1-2-6(4-7)9-14-15-10(16(9)13)18-5-8(12)17/h1-4H,5,13H2,(H2,12,17)</moldb-inchi>
  <moldb-inchikey>XOZVKKPXILESNF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">283.0294588</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.3</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>CHEM273312</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-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide</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>Azoles</klass>
  <subklass>Triazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0229566</sync-id>
  <structure-inchikey>XOZVKKPXILESNF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000800000800000400000000000080004000004000000000000000000004000000002080000000000000000000000000000000000000000000400000008000000000000020000000000000000000008010000000000000010000000000000000100000000000000100000000000000000000000009000110000000800000000000000000881000000000000000000000000000000000000000100000000000080000000000000010400000000000000800000000000000000000000000000000000000000010000000002000000200000000000000000000000000000040000020000400000000010041000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€��@h�������@h�������@(������@h�������@(������@h�������� �����@(������@(������@(������@(������@(�������h�������� ������`�������(�������(�������h���������h���h���h���h���h������ ��h��	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:53:09Z</structure-indexed-at>
</compound>
