67764 <common-name>Acetic acid, (2-benzothiazolylthio)-</common-name> <description>Acetic acid, (2-benzothiazolylthio)- belongs to the benzothiazoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the formula C9H7N1O2S2 and an average molecular weight of 225.28 g/mol.</description> <cas>6295-57-4</cas> <pubchem-id>80525</pubchem-id> <chemical-formula>C9H7N1O2S2</chemical-formula> <weight>225.3</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">2026-04-03T10:35:11Z</created-at> <updated-at type="dateTime">2026-08-25T20:11:06Z</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>OC(=O)CSC1=NC2=CC=CC=C2S1</moldb-smiles> <moldb-formula>C9H7N1O2S2</moldb-formula> <moldb-inchi>InChI=1S/C9H7NO2S2/c11-8(12)5-13-9-10-6-3-1-2-4-7(6)14-9/h1-4H,5H2,(H,11,12)</moldb-inchi> <moldb-inchikey>ZZUQWNYNSKJLPI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">225.28</moldb-average-mass> <moldb-mono-mass type="decimal">224.99182</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>72724</chemspider-id> <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>CHEM063657</chemdb-id> <dsstox-id>DTXSID5064209</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00022583</susdat-id> <iupac>2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid</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>Benzothiazoles</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0156558</sync-id> <structure-inchikey>ZZUQWNYNSKJLPI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000800000000002000000000000000000000000000000040000000000004000000002004000000000000000004000000000000000000000004000000000000000000000020000010000000000000000000400000000000010000002000000000000400000000000000000000000800010100000000000000000000804000000000000000000000000100000000000000000000000000000020000000000000080000000008000000000000000000000000000002000000000000000000000000000000000000000000000000400200000000000000000000000001000040000000000400000000010000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>8112060000002000010820000000040000052000002620400200008c40020018428000200008010000800000042000a0008c30010000443040a0000084110400021040008180102000624100000001d04001413240000420980009000c28040400400280200000005434000020268030000de00411081860021100020044000a6c4002090c0002028a080008110c00124440140a04040c1008004044404300000001412006040940033c211002c00000884108401800400000e04210000000246400021201800000000102800400000002204020010002040800010000100000000002000000041001002000001000100450180a4000000050008000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADwAAAIABCABoAAAAAwEBBgAoAAAA AwQIACgAAAADAgYAYAAAAAICEAAgAAAAAgZAKAAAAAMEB0AoAAAAAwMGQCgA AAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAKAAA AAMEEEAoAAAAAwILAAEgAQIoAgEDAAMEAAQFAAUGaAwGB2gMBwhoDAgJaAwJ CmgMCgtoDAsMaAwMDWgMDQVoDAwHaAxCAgAAAAUFBgcMDQYICQoLDAcXBAAA AAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:17:51Z</structure-indexed-at> </compound>