89449 <common-name>2,4-Dihydro-4-methyl-5-(trifluoromethyl)-3H-1,2,4-triazole-3-thione</common-name> <description>2,4-Dihydro-4-methyl-5-(trifluoromethyl)-3H-1,2,4-triazole-3-thione belongs to the triazoles, a subclass of azoles within the organic compounds. It is classified as an organoheterocyclic compound with the formula C4H4F3N3S. The compound has an average molecular weight of 183.15 g/mol.</description> <cas>30682-81-6</cas> <pubchem-id>1239166</pubchem-id> <chemical-formula>C4H4F3N3S</chemical-formula> <weight>183.16</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">2026-04-04T23:46:02Z</created-at> <updated-at type="dateTime">2026-08-22T16:46:22Z</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>CN1C(=S)NN=C1C(F)(F)F</moldb-smiles> <moldb-formula>C4H4F3N3S</moldb-formula> <moldb-inchi>InChI=1/C4H4F3N3S/c1-10-2(4(5,6)7)8-9-3(10)11/h1H3,(H,9,11)</moldb-inchi> <moldb-inchikey>HUZASKHMPBJXJP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">183.15</moldb-average-mass> <moldb-mono-mass type="decimal">183.0078028</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.1</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>CHEM085342</chemdb-id> <dsstox-id>DTXSID20184715</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00050333</susdat-id> <iupac>4-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione</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>Azoles</klass> <subklass>Triazoles</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0121103</sync-id> <structure-inchikey>HUZASKHMPBJXJP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000040002000000000000000000000000200000000000000000000000400000000000000002000000000000000000000000000000000000000000000080400000000000000000040000000000000000000000000000000000000004000000000000000000000000020000100000000000000000000000000000040000000000000200000004000000000000000000000080000000000000000000000000000000000080000000000000000040000000000000000000000000000000000000000000000000000000000000000040000000000000000000040000000000000000000000000000000800000000000000000080000080000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAALAAAACwAAAIABBgBgAAAAAQMHQCgAAAAD AwZAKAAAAAMEEAAoAAAAAwIHQDgAAAADAQMHQCgAAAADAwZAKAAAAAMEBgAg AAAABAkAIAAAAAEJACAAAAABCQAgAAAAAQsAAQABAmgMAgMoAgIEaAwEBWgM BQZoDAYHAAcIAAcJAAcKAAYBaAxCAQAAAAUBAgQFBhcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:32:41Z</structure-indexed-at> </compound>