<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">308144</id>
  <title nil="true"/>
  <common-name>1-[2-(2,5-dimethoxyphenyl)sulfanylphenyl]-n,n-dimethylmethanamine</common-name>
  <description>1-[2-(2,5-dimethoxyphenyl)sulfanylphenyl]-n,n-dimethylmethanamine belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. It has the chemical formula C17H21NO2S and an average molecular weight of 303.40 g/mol. This compound is further classified as an organosulfur compound.</description>
  <cas nil="true"/>
  <pubchem-id>1240885</pubchem-id>
  <chemical-formula>C17H21NO2S</chemical-formula>
  <weight>303.4</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">2026-08-29T02:29:31Z</created-at>
  <updated-at type="dateTime">2026-08-29T02:29:31Z</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>CN(C)CC1=CC=CC=C1SC2=C(C=CC(=C2)OC)OC</moldb-smiles>
  <moldb-formula>C17H21NO2S</moldb-formula>
  <moldb-inchi>InChI=1S/C17H21NO2S/c1-18(2)12-13-7-5-6-8-16(13)21-17-11-14(19-3)9-10-15(17)20-4/h5-11H,12H2,1-4H3</moldb-inchi>
  <moldb-inchikey>DDXRNELRQIAYAN-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">303.1293001</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.8</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>CHEM304037</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-[2-(2,5-dimethoxyphenyl)sulfanylphenyl]-n,n-dimethylmethanamine</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>CED0259173</sync-id>
  <structure-inchikey>DDXRNELRQIAYAN-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800200000800000000000000000000000000000000400000000000000000200000000000004000000000000000000000000000000010000000000080000000000000000000000008000000000100000200000000000000040000080000000040000000104800000000000000000000000000000000004000000040000000800000000000000000100002400100000000000000000000000000000000000004000000080000000000000000000000000000400000000080000000000000040000000000000000100000000000000000000200080000000000000000000000000040000000000000000000000028000000000000000010</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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����h��h��h���h���h��� ����� ���	�h���h�B������	��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:16:07Z</structure-indexed-at>
</compound>
