82546 <common-name>2-[(Trifluoromethyl)thio]aniline</common-name> <description>2-[(Trifluoromethyl)thio]aniline belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. It has the formula C7H6F3NS and an average molecular weight of 193.19 g/mol. This substance is further classified as an organosulfur compound.</description> <cas>347-55-7</cas> <pubchem-id>67670</pubchem-id> <chemical-formula>C7H6F3NS</chemical-formula> <weight>193.19</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">2026-04-04T18:56:58Z</created-at> <updated-at type="dateTime">2026-08-24T05:08:27Z</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>NC1=C(SC(F)(F)F)C=CC=C1</moldb-smiles> <moldb-formula>C7H6F3NS</moldb-formula> <moldb-inchi>InChI=1/C7H6F3NS/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4H,11H2</moldb-inchi> <moldb-inchikey>HIPLFBJHUALLRK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">193.19</moldb-average-mass> <moldb-mono-mass type="decimal">193.0173049</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>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>CHEM078439</chemdb-id> <dsstox-id>DTXSID3059840</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00042078</susdat-id> <iupac>2-(trifluoromethylsulfanyl)aniline</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>Organosulfur compounds</superklass> <klass>Thioethers</klass> <subklass>Aryl thioethers</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0125222</sync-id> <structure-inchikey>HIPLFBJHUALLRK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000400000000000002800000000000000000000000000000000000000000000000000000000000000004000000000000000000000000000020000000000000000004000000000000000000000000000000000000000000000000000000002000000000000000000000000000202000000000000000000000000004000000000000000800000000000000000001000000100000000000002000000000000000000000000000000080000000000000000044000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000000000040000000000000800000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>110000000903020080000001000820000000000000040000002400400200000c4000001000800000000001000080000004200020028c30010000443000a0400084110400020004000080100000620000000005004140003240000420000200000c0004060040020800000000401000002400801001010004511800004011000200400008044000000c00020008080008100c00124c0014020000080000004080408300040000400000000840003c601002c0000080410840100000000040021000000084244800120180000000010280000000000000400000000000080000000000011000008000000000800010200000100010004000020008001050000400</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAMAAAADAAAAIABBwBoAAAAAwECBkAoAAAA AwQGQCgAAAADBBAAIAAAAAIGACAAAAAECQAgAAAAAQkAIAAAAAEJACAAAAAB BkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBCwABIAECaAwC AwADBAAEBQAEBgAEBwACCGgMCAloDAkKaAwKC2gMCwFoDEIBAAAABgELCgkI AhcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:28:40Z</structure-indexed-at> </compound>