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<compound>
  <id type="integer">140884</id>
  <title nil="true"/>
  <common-name>Taurosteine</common-name>
  <description>Taurosteine belongs to the thiophene carboxylic acids and derivatives, a subclass of thiophenes within the organic compounds. It is an organoheterocyclic compound with the formula C7H9NO4S2 and an average molecular weight of 235.27 g/mol.</description>
  <cas>124066-33-7</cas>
  <pubchem-id>3086612</pubchem-id>
  <chemical-formula>C7H9NO4S2</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">2026-04-15T17:02:56Z</created-at>
  <updated-at type="dateTime">2026-05-14T20:20:05Z</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>DB19887</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>OS(=O)(=O)CCNC(=O)C1=CC=CS1</moldb-smiles>
  <moldb-formula>C7H9NO4S2</moldb-formula>
  <moldb-inchi>InChI=1S/C7H9NO4S2/c9-7(6-2-1-4-13-6)8-3-5-14(10,11)12/h1-2,4H,3,5H2,(H,8,9)(H,10,11,12)</moldb-inchi>
  <moldb-inchikey>JJXDGYJCYKWEAI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">235.27</moldb-average-mass>
  <moldb-mono-mass type="decimal">234.997300122</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM136777</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 nil="true"/>
  <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>Thiophenes</klass>
  <subklass>Thiophene carboxylic acids and derivatives</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0110985</sync-id>
  <structure-inchikey>JJXDGYJCYKWEAI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>820000000000000001800000000000000000000000000004000000000040000000000000000000000000020000000100000000100000000000000042000000000000000000000000008000000000000020001010000000000000000000000000000000010000000000000000000000000010000000000000000000000000000000000000000000804000000000000080000000200000020000000000000000000000000000000000000000080000000000000000000000080000000000000000000001000000000000000000000000008004000000000000000200000000000000000000000000000040000000000400000000000000000002000000000000</structure-fingerprint>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:51:36Z</structure-indexed-at>
</compound>
