<?xml version="1.0" encoding="UTF-8"?>
<compound>
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  <common-name>2-[2-aminoethylsulfanyl(phenyl)methyl]sulfanylethanamine</common-name>
  <description nil="true"/>
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  <pubchem-id>211328</pubchem-id>
  <chemical-formula>C11H18N2S2</chemical-formula>
  <weight>242.4</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">2026-08-27T17:31:42Z</created-at>
  <updated-at type="dateTime">2026-08-27T17:31:42Z</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(SCCN)SCCN</moldb-smiles>
  <moldb-formula>C11H18N2S2</moldb-formula>
  <moldb-inchi>InChI=1S/C11H18N2S2/c12-6-8-14-11(15-9-7-13)10-4-2-1-3-5-10/h1-5,11H,6-9,12-13H2</moldb-inchi>
  <moldb-inchikey>ADHTVJSHWYFKCY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
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  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.3</logp>
  <hmdb-id nil="true"/>
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  <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>CHEM277954</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-[2-aminoethylsulfanyl(phenyl)methyl]sulfanylethanamine</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>CED0234009</sync-id>
  <structure-inchikey>ADHTVJSHWYFKCY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000800000000000000000000000000000000000000000000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000010000000000000100000000000000000000000000000000000000000000000000000000000000000000400000000000004000000000000800000000000000000001002000100000000000000000000000000000000000000000400094000000000000000000000000000000000000000000000000400000001000000000000000000000000000000004200000000000000000000008000000040000000000000000000000000000000000000000000</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�B���������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:56:56Z</structure-indexed-at>
</compound>
