98490 <common-name>2-[[Cyclohexyl(2-hydroxyethyl)amino]methyl]-1,2-benzisothiazol-3(2H)-one</common-name> <description>2-[[Cyclohexyl(2-hydroxyethyl)amino]methyl]-1,2-benzisothiazol-3(2H)-one belongs to the benzothiazoles, a class of organoheterocyclic compounds within the organic compounds. It has the chemical formula C16H22N2O2S and an average molecular weight of 306.42 g/mol.</description> <cas>84012-53-3</cas> <pubchem-id>16205434</pubchem-id> <chemical-formula>C16H22N2O2S</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">2026-04-05T06:09:08Z</created-at> <updated-at type="dateTime">2026-04-05T06:09:08Z</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>OCCN(CN1SC2=CC=CC=C2C1=O)C1CCCCC1</moldb-smiles> <moldb-formula>C16H22N2O2S</moldb-formula> <moldb-inchi>InChI=1/C16H22N2O2S/c19-11-10-17(13-6-2-1-3-7-13)12-18-16(20)14-8-4-5-9-15(14)21-18/h4-5,8-9,13,19H,1-3,6-7,10-12H2</moldb-inchi> <moldb-inchikey>BSADNVUPCPLKGY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">306.42</moldb-average-mass> <moldb-mono-mass type="decimal">306.1401989</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>CHEM094383</chemdb-id> <dsstox-id>DTXSID801004291</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00061047</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>CED0159657</sync-id> <structure-inchikey>BSADNVUPCPLKGY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000008020000000000800000000000000000020000000000000002000000200000000000000020000000000000000000000000000000000004004040000080000000000000000000000000000000000020000010000000000000000000000002000000014000004000000000004420000000020100000000000000000000100800000001000000800000000000000000000000000100000000000000000000000000000006001000040000080008000000000800000000000000000000000000000000040000000000000000000000000000000000000000000200000000000000000000000000000040000000000000010001000000000004000100000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`������� ������`������@(������@(������@(������@h�������@h�������@h�������@h�������@(������@(�������(�������`�������`�������`�������`�������`�������`�����������������������h���h���h�� h� h� �h���h�� h� �(������������������� �h������h�B������� ���� ��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:38:14Z</structure-indexed-at> </compound>