280169 <common-name>2,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thione</common-name> <description>2,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-thione belongs to the triazoles, a subclass of azoles within the organic compounds. It is an organoheterocyclic compound with the formula C11H10F3N3S and an average molecular weight of 273.28 g/mol.</description> <cas>110623-37-5</cas> <pubchem-id>3066610</pubchem-id> <chemical-formula>C11H10F3N3S</chemical-formula> <weight>273.28</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">2026-08-26T20:12:18Z</created-at> <updated-at type="dateTime">2026-08-26T20:12:18Z</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(=NN(C1=S)C)C2=CC(=CC=C2)C(F)(F)F</moldb-smiles> <moldb-formula>C11H10F3N3S</moldb-formula> <moldb-inchi>InChI=1S/C11H10F3N3S/c1-16-9(15-17(2)10(16)18)7-4-3-5-8(6-7)11(12,13)14/h3-6H,1-2H3</moldb-inchi> <moldb-inchikey>ALAPIMRPRMCMEE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">273.054753</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.7</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>CHEM276062</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>2,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-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" nil="true"/> <sync-id>CED0232207</sync-id> <structure-inchikey>ALAPIMRPRMCMEE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40002000000000000000000000000000000000000000000000000000000000000000002200000000000000000000000000000000000000000000080000000000000000000000000000000000000000008000000002000000004000000000000000100000000000000100000000080000000000000001000140000000800040000000004000800000000000000000000000080000000000000000000000000000080000000040000000040000000000000000200000000000000000000000000000000400000000000000042000000200080000000000008000000040000040000000000000800000080000000000000040000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@(������@(������@(�������(�������`������@(������@h�������@(������@h�������@h�������@h�������� ���� � ���� � ���� � ����������h���h���h���h���(������ � h� h� �h���h�� h� �������������h� �h�B����������� �� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:55:26Z</structure-indexed-at> </compound>