<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">301150</id>
  <title nil="true"/>
  <common-name>[1-chloro-2-[(2-chloro-2-phenylethyl)disulfanyl]ethyl]benzene</common-name>
  <description>[1-chloro-2-[(2-chloro-2-phenylethyl)disulfanyl]ethyl]benzene belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has the formula C16H16Cl2S2 and an average molecular weight of 343.30 g/mol.</description>
  <cas>29184-39-2</cas>
  <pubchem-id>119869</pubchem-id>
  <chemical-formula>C16H16Cl2S2</chemical-formula>
  <weight>343.3</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">2026-08-28T18:06:54Z</created-at>
  <updated-at type="dateTime">2026-08-28T18:06:54Z</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=C(C=C1)C(CSSCC(C2=CC=CC=C2)Cl)Cl</moldb-smiles>
  <moldb-formula>C16H16Cl2S2</moldb-formula>
  <moldb-inchi>InChI=1S/C16H16Cl2S2/c17-15(13-7-3-1-4-8-13)11-19-20-12-16(18)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2</moldb-inchi>
  <moldb-inchikey>AAZRETWAQFEOEW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">342.0070482</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.1</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>CHEM297043</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>[1-chloro-2-[(2-chloro-2-phenylethyl)disulfanyl]ethyl]benzene</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>Benzene and substituted derivatives</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0252401</sync-id>
  <structure-inchikey>AAZRETWAQFEOEW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000800000000000000000000000000000000000000020000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000000000000000000008004000000000000840000000000000000001000000100000000000000000000000000000000000000000600080000000000000000000000000000000000000000000000000400000000000000000000000010000000000000000200000000000000000000000000000040000000000000000000000000000000000800000000</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���h���h�����������	�	
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������h��h���h���h���h���������h���h�B���������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:10:57Z</structure-indexed-at>
</compound>
