<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">136131</id>
  <title nil="true"/>
  <common-name>2,5-Dimethoxy-4-ethylthioamphetamine</common-name>
  <description>2,5-Dimethoxy-4-ethylthioamphetamine belongs to the phenethylamines, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C13H21NO2S and an average molecular weight of 255.38 g/mol. In terms of its pharmacological profile, two protein targets have been recorded for this substance. It acts as an agonist of 5-hydroxytryptamine receptor 2A (HTR2A) and 5-hydroxytryptamine receptor 2C (HTR2C).</description>
  <cas>185562-00-9</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C13H21NO2S</chemical-formula>
  <weight nil="true"/>
  <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">2026-04-14T19:36:05Z</created-at>
  <updated-at type="dateTime">2026-05-14T19:38:42Z</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>DB13940</drugbank-id>
  <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>CCSC1=CC(OC)=C(CC(C)N)C=C1OC</moldb-smiles>
  <moldb-formula>C13H21NO2S</moldb-formula>
  <moldb-inchi>InChI=1S/C13H21NO2S/c1-5-17-13-8-11(15-3)10(6-9(2)14)7-12(13)16-4/h7-9H,5-6,14H2,1-4H3</moldb-inchi>
  <moldb-inchikey>MCYCODJKXUJSAT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">255.38</moldb-average-mass>
  <moldb-mono-mass type="decimal">255.129300094</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.37</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>CHEM132024</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-[4-(ethylsulfanyl)-2,5-dimethoxyphenyl]propan-2-amine</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>Phenethylamines</subklass>
  <paper-count type="integer">1</paper-count>
  <sync-id>CED0067735</sync-id>
  <structure-inchikey>MCYCODJKXUJSAT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000001800000000800000000008400000000000000000000400000001002000000000004000000000000000000000000000000000000000000000000000000010000000000200400000000000000000100000000000000000000002000000008000040000000380000000000000000000000000000000100004000000040000000000000000000000000001000000000000000000000000000000000000000800004000000080000000000000000000000000000000000000080000000000000000000010000000080000000000000000000000000000000000000000000000000000040000000000000000000000020000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:49:53Z</structure-indexed-at>
</compound>
