363882 <common-name>6-bromo-2-sulfanylidene-1,3-benzoxazin-4-one</common-name> <description>6-bromo-2-sulfanylidene-1,3-benzoxazin-4-one is a chemical compound with the formula C8H4BrNO2S. It has an average molecular weight of 258.09 g/mol.</description> <cas>23611-66-7</cas> <pubchem-id>3038271</pubchem-id> <chemical-formula>C8H4BrNO2S</chemical-formula> <weight>258.09</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">2026-09-01T13:35:10Z</created-at> <updated-at type="dateTime">2026-09-01T13:35:10Z</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>C1=CC2=C(C=C1Br)C(=O)NC(=S)O2</moldb-smiles> <moldb-formula>C8H4BrNO2S</moldb-formula> <moldb-inchi>InChI=1S/C8H4BrNO2S/c9-4-1-2-6-5(3-4)7(11)10-8(13)12-6/h1-3H,(H,10,11,13)</moldb-inchi> <moldb-inchikey>QQLGDOYCSLMRRO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">256.91461</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>CHEM359775</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-2-sulfanylidene-1,3-benzoxazin-4-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>Organoheterocyclic compounds</superklass> <klass>Benzoxazines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0313903</sync-id> <structure-inchikey>QQLGDOYCSLMRRO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000000000000000000000000000020000200000000800000000000000000000000000000000000000000000000000000000000000000000020800000000000000000800002000200000000000000000000000000100000000400000000000004000000000000000000000000000000000000200000000004000000000000000000000000000000000000004000000000040000080000000000000000000000000000000000000000000000000000000800000108000000000000000000040020004200000000000000a00000000000000040000000000000000000000000000000000000200040</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAANAAAADgAAAIABBkBoAAAAAwMBBkBoAAAA AwMBBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEIwAgAAAAAQZA KAAAAAMECAAoAAAAAwIHQDgAAAADAQMGQCgAAAADBBAAKAAAAAMCCEAoAAAA AwILAAFoDAECaAwCA2gMAwRoDAQFaAwFBgADB2gMBwgoAgcJaAwJCmgMCgso AgoMaAwFAGgMDAJoDEICAAAABgAFBAMCAQYHCQoMAgMXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:00:22Z</structure-indexed-at> </compound>