<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">296855</id>
  <title nil="true"/>
  <common-name>2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-n,n-diethylacetamide</common-name>
  <description>2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-n,n-diethylacetamide belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. It has the formula C15H18ClN3OS3 and an average molecular weight of 388.00 g/mol. The compound is further classified under the superclass of organosulfur compounds.</description>
  <cas>476484-59-0</cas>
  <pubchem-id>1543071</pubchem-id>
  <chemical-formula>C15H18ClN3OS3</chemical-formula>
  <weight>388</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">2026-08-28T13:01:09Z</created-at>
  <updated-at type="dateTime">2026-08-28T13:01:09Z</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>CCN(CC)C(=O)CSC1=NN=C(S1)SCC2=CC=C(C=C2)Cl</moldb-smiles>
  <moldb-formula>C15H18ClN3OS3</moldb-formula>
  <moldb-inchi>InChI=1S/C15H18ClN3OS3/c1-3-19(4-2)13(20)10-22-15-18-17-14(23-15)21-9-11-5-7-12(16)8-6-11/h5-8H,3-4,9-10H2,1-2H3</moldb-inchi>
  <moldb-inchikey>TZDSKVHOFJXFFC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">387.0300534</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.4</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>CHEM292748</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-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-n,n-diethylacetamide</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>Organosulfur compounds</superklass>
  <klass>Thioethers</klass>
  <subklass>Aryl thioethers</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0248244</sync-id>
  <structure-inchikey>TZDSKVHOFJXFFC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000800000000002000000000000080000010000000000002000200010004000000002000000000000000000001000000000000000000000000400000000000000100000020000010000000000000000000002000000004010080000000000000004000000000000800000000002000010180000000000040020000000000000000000000080000000000000000020000020000000000000000000000000000080000000200000000000000000000000000000000000001000000000000000000000000000010000000000000000220000000000000000000000000000040000000000400000000010000000000040000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������`�������`�������(�������(�������`������� �����@(������@(������@(������@(������@(������� ������`������@(������@h�������@h�������@(������@h�������@h�������� ������������������� ��(��������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:07:57Z</structure-indexed-at>
</compound>
