<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">279992</id>
  <title nil="true"/>
  <common-name>5-[(4-chloro-3-methylphenoxy)methyl]-3h-1,3,4-oxadiazole-2-thione</common-name>
  <description>5-[(4-chloro-3-methylphenoxy)methyl]-3h-1,3,4-oxadiazole-2-thione belongs to the phenol ethers, a class of benzenoids within the organic compounds. This compound has the chemical formula C10H9ClN2O2S and an average molecular weight of 256.71 g/mol.</description>
  <cas>72384-92-0</cas>
  <pubchem-id>3033519</pubchem-id>
  <chemical-formula>C10H9ClN2O2S</chemical-formula>
  <weight>256.71</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">2026-08-26T19:57:27Z</created-at>
  <updated-at type="dateTime">2026-08-26T19:57:27Z</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>CC1=C(C=CC(=C1)OCC2=NNC(=S)O2)Cl</moldb-smiles>
  <moldb-formula>C10H9ClN2O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C10H9ClN2O2S/c1-6-4-7(2-3-8(6)11)14-5-9-12-13-10(16)15-9/h2-4H,5H2,1H3,(H,13,16)</moldb-inchi>
  <moldb-inchikey>NUSNEUGVDAPAPW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">256.0073264</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.1</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>CHEM275885</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>5-[(4-chloro-3-methylphenoxy)methyl]-3h-1,3,4-oxadiazole-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>Benzenoids</superklass>
  <klass>Phenol ethers</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0232034</sync-id>
  <structure-inchikey>NUSNEUGVDAPAPW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>208000400000000000000000000000000001000000008000000000080000002000000000020060000000000000000000000000000000000000000000004000000000000000000000028020000001000002080000410000000000000000000000000000001000000000040000000000000000000000000000000000400000000000002000000000000000000000000000000000000000000000000040000000000000000c0100000000000000080000000000040000000000000000000000000800000000000000000012000000042000000200000000000000000000000000000040000002000000000000000000000000080000000000</structure-fingerprint>
  <structure-pattern-fingerprint>40000010093202008000000001082000000004000005202000b620410200000c40020854008001000004410001800000042800a0008c30010000443000a04000c4112400021006100890100000620000800001804201013241000422002001100c20040600408200200000004430020120028030c001e0041108082002110002004000080c40000908000203080c0008111c0012440014820000080400400086c04300001000c00000000840013c231002c00000884108401800028002500210404002049400005201800000040502800408000042004030091000040c00010000000010000100020008000210822002001000108440000a0000000051000000</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@h�������@h�������@(������@h��������(�������`������@(������@(������@8�������@(�������(������@(������� ����������h���h���h���h���h��� ����	�	
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	�������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:55:12Z</structure-indexed-at>
</compound>
