299866 <common-name>4-[(e)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(3-methylphenyl)-1h-1,2,4-triazole-5-thione</common-name> <description>4-[(e)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(3-methylphenyl)-1h-1,2,4-triazole-5-thione belongs to the triazoles, a subclass of azoles within the organic compounds. This organoheterocyclic compound has the formula C16H12ClFN4S and an average molecular weight of 346.80 g/mol.</description> <cas>478255-65-1</cas> <pubchem-id>6879745</pubchem-id> <chemical-formula>C16H12ClFN4S</chemical-formula> <weight>346.8</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">2026-08-28T16:32:56Z</created-at> <updated-at type="dateTime">2026-08-28T16:32:56Z</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>CC1=CC(=CC=C1)C2=NNC(=S)N2N=CC3=C(C=CC=C3Cl)F</moldb-smiles> <moldb-formula>C16H12ClFN4S</moldb-formula> <moldb-inchi>InChI=1S/C16H12ClFN4S/c1-10-4-2-5-11(8-10)15-20-21-16(23)22(15)19-9-12-13(17)6-3-7-14(12)18/h2-9H,1H3,(H,21,23)/b19-9+</moldb-inchi> <moldb-inchikey>XXPUHZCGJTUYQV-DJKKODMXSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">346.0455234</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.4</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>CHEM295759</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-[(e)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(3-methylphenyl)-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" nil="true"/> <sync-id>CED0251152</sync-id> <structure-inchikey>XXPUHZCGJTUYQV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000040000000000000000000000000000200000800000000000000000000008000220002002000000000000000004000000000000000000000008000400000000000000000000000000000000210000004008000000000000000100000010000000080100000000000000900000000020000000004000081000140000000800000200000000000800000000000000000000000080000000000000000000000600000080000000000000000000000000000000000000000000000000000000000000000000000000010000000042000000200000000000060000100008000000040000000000000800000000000000000080000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@(������@h�������@h�������@h�������@(������@(������@8�������@(�������(������@(�������(�������h�������@(������@(������@h�������@h�������@h�������@(������� ���� � ����������h���h���h���h���h��� ��h�� h� h� �(� �h�� �(��� ��h���h���h���h���h���������h���h���h�B��������������� �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:10:06Z</structure-indexed-at> </compound>