364110 <common-name>6-bromo-1-methyl-3h-1,2-benzothiazole 1-oxide</common-name> <description>6-bromo-1-methyl-3h-1,2-benzothiazole 1-oxide is a chemical compound with the formula C8H8BrNOS. It has an average molecular weight of 246.13 g/mol.</description> <cas>2649046-66-0</cas> <pubchem-id>155821558</pubchem-id> <chemical-formula>C8H8BrNOS</chemical-formula> <weight>246.13</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">2026-09-01T13:53:53Z</created-at> <updated-at type="dateTime">2026-09-01T13:53:53Z</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>CS1(=NCC2=C1C=C(C=C2)Br)=O</moldb-smiles> <moldb-formula>C8H8BrNOS</moldb-formula> <moldb-inchi>InChI=1S/C8H8BrNOS/c1-12(11)8-4-7(9)3-2-6(8)5-10-12/h2-4H,5H2,1H3</moldb-inchi> <moldb-inchikey>WQCUOKKLDQUFKD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">244.951</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.3</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>CHEM360003</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>6-bromo-1-methyl-3h-1,2-benzothiazole 1-oxide</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 nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0314123</sync-id> <structure-inchikey>WQCUOKKLDQUFKD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>10000000000000000010000000000000000000000000000000000000000002000000000400000000000040000000000000000000000000000000000000000000020000000000000000000800020000200000000000000000400080000100000000400020000000002000000000000000000000040000000000000000000000004000000000000000000080000000000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000100000000000000000000000000000200001001000000000000000000000040000000000000000008020000080000000000002000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAMAAAADQAAAIABBgBgAAAAAQMQACAAAAAG BwAoAAAAAwMGAGAAAAACAgZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQCgA AAADBAZAaAAAAAMDAQZAaAAAAAMDASMAIAAAAAEIACgAAAADAgsAAQABAggC AgMAAwQABAVoDAUGaAwGB2gMBwhoDAgJaAwHCgABCwgCBQEACQRoDEICAAAA BQECAwQFBgYHCAkEBRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:00:32Z</structure-indexed-at> </compound>