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<compound>
  <id type="integer">362697</id>
  <title nil="true"/>
  <common-name>2-amino-3-[(2,5-dichloro-4-methylthiophen-3-yl)sulfonylamino]propanoic acid</common-name>
  <description>2-amino-3-[(2,5-dichloro-4-methylthiophen-3-yl)sulfonylamino]propanoic acid is a compound with the formula C8H10Cl2N2O4S2. It has an average molecular weight of 333.20 g/mol.</description>
  <cas>2361643-68-5</cas>
  <pubchem-id>139026788</pubchem-id>
  <chemical-formula>C8H10Cl2N2O4S2</chemical-formula>
  <weight>333.2</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">2026-09-01T12:04:52Z</created-at>
  <updated-at type="dateTime">2026-09-01T12:04:52Z</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=C(SC(=C1S(=O)(=O)NCC(C(=O)O)N)Cl)Cl</moldb-smiles>
  <moldb-formula>C8H10Cl2N2O4S2</moldb-formula>
  <moldb-inchi>InChI=1S/C8H10Cl2N2O4S2/c1-3-5(7(10)17-6(3)9)18(15,16)12-2-4(11)8(13)14/h4,12H,2,11H2,1H3,(H,13,14)</moldb-inchi>
  <moldb-inchikey>COWXAAGSVZSKFX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">331.9459045</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-0.7</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>CHEM358590</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-amino-3-[(2,5-dichloro-4-methylthiophen-3-yl)sulfonylamino]propanoic acid</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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0312757</sync-id>
  <structure-inchikey>COWXAAGSVZSKFX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000000000000002000000000000000000000080000000000000000000000020000000004000000000000000000000000000200000000000000400000000002000000000020000110000000000000000100000000002000010000000000000000000000000000000000100000000000000000040000000040000000000000000000000080001000000000000000000000000000000000000040080000000000080000000000100000004000080000000000000004000000000000000000002000000000000010080000002000000000000000000800000000000840000000000000040400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:59:38Z</structure-indexed-at>
</compound>
