<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">331529</id>
  <title nil="true"/>
  <common-name>(2,2-dimethyl-1,3-benzodioxol-4-yl) n-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxycarbonyl-methylamino]sulfanyl-n-methylcarbamate</common-name>
  <description>(2,2-dimethyl-1,3-benzodioxol-4-yl) n-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxycarbonyl-methylamino]sulfanyl-n-methylcarbamate is a chemical compound with the formula C22H24N2O8S. It has an average molecular weight of 476.50 g/mol.</description>
  <cas>74091-47-7</cas>
  <pubchem-id>3057624</pubchem-id>
  <chemical-formula>C22H24N2O8S</chemical-formula>
  <weight>476.5</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">2026-08-30T12:22:35Z</created-at>
  <updated-at type="dateTime">2026-08-30T12:22:35Z</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(OC2=C(O1)C(=CC=C2)OC(=O)N(C)SN(C)C(=O)OC3=CC=CC4=C3OC(O4)(C)C)C</moldb-smiles>
  <moldb-formula>C22H24N2O8S</moldb-formula>
  <moldb-inchi>InChI=1S/C22H24N2O8S/c1-21(2)29-15-11-7-9-13(17(15)31-21)27-19(25)23(5)33-24(6)20(26)28-14-10-8-12-16-18(14)32-22(3,4)30-16/h7-12H,1-6H3</moldb-inchi>
  <moldb-inchikey>GINNZXYWHOXWCO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">476.1253369</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.6</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>CHEM327422</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-dimethyl-1,3-benzodioxol-4-yl) n-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxycarbonyl-methylamino]sulfanyl-n-methylcarbamate</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>Benzodioxoles</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0282063</sync-id>
  <structure-inchikey>GINNZXYWHOXWCO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000001000000000000000000000000000020800000000100004000000000000000000000010000000000000000004000000000000000000000000100004000000001000048000000820080008004000080100800000000000000000000010020200200000000000000000200080000002000000000000000004000800000000000000000000000000000000000000000000000000000000040000200000000000000000000000000000040000000400400000000000020000000000000000000</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���h��� ������������� ����	�h���h��� B�������������	��������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:34:00Z</structure-indexed-at>
</compound>
