364705 <common-name>4-[(2-sulfosulfanylethylamino)methyl]-2,1,3-benzothiadiazole</common-name> <description>4-[(2-sulfosulfanylethylamino)methyl]-2,1,3-benzothiadiazole is a chemical compound with the formula C9H11N3O3S3. It has an average molecular weight of 305.40 g/mol.</description> <cas nil="true"/> <pubchem-id>3054691</pubchem-id> <chemical-formula>C9H11N3O3S3</chemical-formula> <weight>305.4</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">2026-09-01T14:56:26Z</created-at> <updated-at type="dateTime">2026-09-01T14:56:26Z</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=NSN=C2C(=C1)CNCCSS(=O)(=O)O</moldb-smiles> <moldb-formula>C9H11N3O3S3</moldb-formula> <moldb-inchi>InChI=1S/C9H11N3O3S3/c13-18(14,15)16-5-4-10-6-7-2-1-3-8-9(7)12-17-11-8/h1-3,10H,4-6H2,(H,13,14,15)</moldb-inchi> <moldb-inchikey>XUOCJUZYCSWNRQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">304.9962547</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-1.8</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>CHEM360598</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>4-[(2-sulfosulfanylethylamino)methyl]-2,1,3-benzothiadiazole</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>Benzothiadiazoles</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0314681</sync-id> <structure-inchikey>XUOCJUZYCSWNRQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000001820000000000000000000000000000000010000000040000000000000020000002000000000000000000000000000000000000000000000000000008000000000000020001010000000000000000000000000000000010000000000000000000000000000000000000000000000000900000001000000000000804004000000000080000002000000000004000000000000800000000000000004880000080000000000000000000000080000000100000000000000000000040000000000800000000800000008000800000200000000000000000000000000000040000000000000000000000000000200000000000002</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAEwAAAIABBkBoAAAAAwMBBkBoAAAA AwMBBkAoAAAAAwQHQCgAAAADAxBAKAAAAAMCB0AoAAAAAwMGQCgAAAADBAZA KAAAAAMEBkBoAAAAAwMBBgBgAAAAAgIHAGAAAAACAQYAYAAAAAICBgBgAAAA AgIQACAAAAACEAAgAAAABggAKAAAAAMCCAAoAAAAAwIIAGAAAAABAQsAAWgM AQJoDAIDaAwDBGgMBAVoDAUGaAwGB2gMBwhoDAcJAAkKAAoLAAsMAAwNAA0O AA4PCAIOEAgCDhEACABoDAYCaAxCAgAAAAYACAcGAgEFAwIGBQQXBAAAAAAA AAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:01:02Z</structure-indexed-at> </compound>