72173 <common-name>2,3-Dihydro-2-thioxobenzothiazole-6-sulphonic acid</common-name> <description>2,3-Dihydro-2-thioxobenzothiazole-6-sulphonic acid belongs to the benzothiazoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C7H5N1O3S3 and an average molecular weight of 247.30 g/mol.</description> <cas>29401-60-3</cas> <pubchem-id>2802159</pubchem-id> <chemical-formula>C7H5N1O3S3</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">2026-04-03T21:15:56Z</created-at> <updated-at type="dateTime">2026-04-03T21:15:56Z</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>OS(=O)(=O)C1=CC2=C(NC(=S)S2)C=C1</moldb-smiles> <moldb-formula>C7H5N1O3S3</moldb-formula> <moldb-inchi>InChI=1S/C7H5NO3S3/c9-14(10,11)4-1-2-5-6(3-4)13-7(12)8-5/h1-3H,(H,8,12)(H,9,10,11)</moldb-inchi> <moldb-inchikey>BQWXNGQUOGGJAU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">247.3</moldb-average-mass> <moldb-mono-mass type="decimal">246.943155</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2080842</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>CHEM068066</chemdb-id> <dsstox-id>DTXSID60183626</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00028684</susdat-id> <iupac>2-sulfanylidene-3H-1,3-benzothiazole-6-sulfonic 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>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Benzothiazoles</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0183424</sync-id> <structure-inchikey>BQWXNGQUOGGJAU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000100000000002000000000000000000000000000000000000001000000020000000000000000000000800000000000000000000000000000000000008000000020000020000010000000001000000000010000002000010000000000000000100400000000000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000000020000000000000080000001000000000000000088000000000008000000000000000000000000000000000000000000000040000004200000000000000000000000000000040000000000000001000000000000000000000000200</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADwAAAIABCABgAAAAAQEQACAAAAAG CAAoAAAAAwIIACgAAAADAgZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQGQCgA AAADBAdAOAAAAAMBAwZAKAAAAAMEEAAoAAAAAwIQQCgAAAADAgZAaAAAAAMD AQZAaAAAAAMDAQsAAQABAggCAQMIAgEEAAQFaAwFBmgMBgdoDAcIaAwICWgM CQooAgkLaAwHDGgMDA1oDA0EaAwLBmgMQgIAAAAGBA0MBwYFBQgHBgsJFwQA AAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:21:11Z</structure-indexed-at> </compound>