<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">297179</id>
  <title nil="true"/>
  <common-name>8-chloro-4-methyl-2-[3-(2-sulfosulfanylethylamino)propoxy]quinoline</common-name>
  <description>8-chloro-4-methyl-2-[3-(2-sulfosulfanylethylamino)propoxy]quinoline belongs to the quinolones and derivatives, a subclass of quinolines and derivatives within the organic compounds. This organoheterocyclic compound has the chemical formula C15H19ClN2O4S2 and an average molecular weight of 390.90 g/mol.</description>
  <cas>41287-25-6</cas>
  <pubchem-id>218765</pubchem-id>
  <chemical-formula>C15H19ClN2O4S2</chemical-formula>
  <weight>390.9</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">2026-08-28T13:25:01Z</created-at>
  <updated-at type="dateTime">2026-08-28T13:25:01Z</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=CC(=NC2=C1C=CC=C2Cl)OCCCNCCSS(=O)(=O)O</moldb-smiles>
  <moldb-formula>C15H19ClN2O4S2</moldb-formula>
  <moldb-inchi>InChI=1S/C15H19ClN2O4S2/c1-11-10-14(18-15-12(11)4-2-5-13(15)16)22-8-3-6-17-7-9-23-24(19,20)21/h2,4-5,10,17H,3,6-9H2,1H3,(H,19,20,21)</moldb-inchi>
  <moldb-inchikey>PEIGKKFXAGEKFV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">390.0474771</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.5</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>CHEM293072</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>8-chloro-4-methyl-2-[3-(2-sulfosulfanylethylamino)propoxy]quinoline</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>Quinolines and derivatives</klass>
  <subklass>Quinolones and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0248565</sync-id>
  <structure-inchikey>PEIGKKFXAGEKFV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40800000000000000800000001800000000000000000000000000000000000000000000000000000000020002002000000000000000000000000000200000000000000000400000008000000000000020041000000100000000000000000010000000010000000000000000100000000000008000000000020000000900000001000041000000800004000000000080000002000000000004000000000040000000000020000000040000080100000000000000080000080100000000000000000000240000000000000000000000000010000000002820000200000000000000000000000001000040000000010000000000000800000000000000000002</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�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:08:10Z</structure-indexed-at>
</compound>
