<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">92255</id>
  <title nil="true"/>
  <common-name>Thiophene-2-sulphonyl chloride</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>85518</pubchem-id>
  <chemical-formula>C4H3ClO2S2</chemical-formula>
  <weight>182.7</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">2026-04-05T01:20:03Z</created-at>
  <updated-at type="dateTime">2026-08-22T16:14:20Z</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>ClS(=O)(=O)C1=CC=CS1</moldb-smiles>
  <moldb-formula>C4H3ClO2S2</moldb-formula>
  <moldb-inchi>InChI=1/C4H3ClO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H</moldb-inchi>
  <moldb-inchikey>VNNLHYZDXIBHKZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">182.64</moldb-average-mass>
  <moldb-mono-mass type="decimal">181.926299</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.2</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>CHEM088148</chemdb-id>
  <dsstox-id>DTXSID9066093</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00053649</susdat-id>
  <iupac>thiophene-2-sulfonyl chloride</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>Heteroaromatic compounds</klass>
  <subklass nil="true"/>
  <paper-count type="integer">1</paper-count>
  <sync-id>CED0061955</sync-id>
  <structure-inchikey>VNNLHYZDXIBHKZ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000000000000000004000000000000000000000000040000000000000000000000000020400000100000000000000000000000000000000000000000000000000000000000000000020000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000800000000400000000000000000000000000000000000000000000000000000000000000080000000000000000000000080000000000400000000001000000000000000100000000000010000000000001000200000000000000000000000000004040000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������	���	���€��� ������ ������(�������(������@(������@h�������@h�������@h�������@(����������������������h���h���h���h���h�B��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:34:23Z</structure-indexed-at>
</compound>
