76891 <common-name>Benzo[b]thiophen-3(2H)-one, 4,7-dichloro-</common-name> <description>Benzo[b]thiophen-3(2H)-one, 4,7-dichloro- belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. It has the formula C8H4Cl2O1S1 and an average molecular weight of 219.08 g/mol. This substance is further classified as an organosulfur compound.</description> <cas>61886-43-9</cas> <pubchem-id>112766</pubchem-id> <chemical-formula>C8H4Cl2O1S1</chemical-formula> <weight>219.09</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">2026-04-04T07:44:55Z</created-at> <updated-at type="dateTime">2026-08-24T19:13:55Z</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>ClC1=CC=C(Cl)C2=C1SCC2=O</moldb-smiles> <moldb-formula>C8H4Cl2O1S1</moldb-formula> <moldb-inchi>InChI=1S/C8H4Cl2OS/c9-4-1-2-5(10)8-7(4)6(11)3-12-8/h1-2H,3H2</moldb-inchi> <moldb-inchikey>RXBGQMAHSXLVLU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">219.08</moldb-average-mass> <moldb-mono-mass type="decimal">217.935991</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>97930</chemspider-id> <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>CHEM072784</chemdb-id> <dsstox-id>DTXSID8069519</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00034828</susdat-id> <iupac>4,7-dichloro-1-benzothiophen-3-one</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">0</paper-count> <sync-id>CED0114346</sync-id> <structure-inchikey>RXBGQMAHSXLVLU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000000002000020021000000002000000000000000000000000000000000000000000000000400000000400000010000020002050000000000000000001000000000000000000000000001000000000000000020000000000000000000000000000000000000800000000000000000000000000000000000000000000000000000000000000200000000000080000000000000000000000000000000000000000000000000000000000000000000000000010000000000000001200000000000000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAMAAAADQAAAIABEQAgAAAAAQZAKAAAAAME BkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQRACAAAAABBkAoAAAAAwQGQCgA AAADBBAAIAAAAAIGAGAAAAACAgYAKAAAAAMECAAoAAAAAwILAAEAAQJoDAID aAwDBGgMBAUABAZoDAYHaAwHCAAICQAJCgAKCygCBwFoDAoGIEICAAAABgEH BgQDAgUIBwYKCRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:24:45Z</structure-indexed-at> </compound>