97639 <common-name>2-[(Diethylamino)methyl]-1,2-benzisothiazol-3(2H)-one</common-name> <description>2-[(Diethylamino)methyl]-1,2-benzisothiazol-3(2H)-one belongs to the benzothiazoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C12H16N2OS and an average molecular weight of 236.33 g/mol.</description> <cas>84012-58-8</cas> <pubchem-id>13325810</pubchem-id> <chemical-formula>C12H16N2OS</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">2026-04-05T05:24:16Z</created-at> <updated-at type="dateTime">2026-04-05T05:24:16Z</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>CCN(CC)CN1SC2=CC=CC=C2C1=O</moldb-smiles> <moldb-formula>C12H16N2OS</moldb-formula> <moldb-inchi>InChI=1/C12H16N2OS/c1-3-13(4-2)9-14-12(15)10-7-5-6-8-11(10)16-14/h5-8H,3-4,9H2,1-2H3</moldb-inchi> <moldb-inchikey>AHUSTNSWINPTNT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">236.33</moldb-average-mass> <moldb-mono-mass type="decimal">236.0983341</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>CHEM093532</chemdb-id> <dsstox-id>DTXSID601004295</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00060001</susdat-id> <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>Benzothiazoles</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0120237</sync-id> <structure-inchikey>AHUSTNSWINPTNT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000800000000000000000020000000000000000000000300000000002000020000000000000000000000000000000000004000040000080000000000000000000000000000000000020000010000000000000000000000000000000000000004000000000004400000000000900000000000000000000000000000040000000800000000000000000000000000100000000000000000000000000000000001000040000080008000000010000000000000000000000000000000000040000000000000000000000000000000000000000000200000000000000000000000000000040000000000000010020000000040000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEQAAAIABBgBgAAAAAQMGAGAAAAAC AgcAIAAAAAMGAGAAAAACAgYAYAAAAAEDBgBgAAAAAgIHQCgAAAADAxBAKAAA AAMCBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAAD AwEGQCgAAAADBAZAKAAAAAMECAAoAAAAAwILAAEAAQIAAgMAAwQAAgUABQYA BgdoDAcIaAwICWgMCQpoDAoLaAwLDGgMDA1oDA0OaAwODygCDgZoDA0IaAxC AgAAAAUGBwgNDgYJCgsMDQgXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:37:40Z</structure-indexed-at> </compound>