300310 <common-name>3-(2-fluorophenyl)-4-[(e)-(3-methylphenyl)methylideneamino]-1h-1,2,4-triazole-5-thione</common-name> <description>3-(2-fluorophenyl)-4-[(e)-(3-methylphenyl)methylideneamino]-1h-1,2,4-triazole-5-thione belongs to the triazoles, a subclass of azoles within the organic compounds. It is classified as an organoheterocyclic compound with the formula C16H13FN4S. The compound has an average molecular weight of 312.40 g/mol.</description> <cas>676645-65-1</cas> <pubchem-id>6859107</pubchem-id> <chemical-formula>C16H13FN4S</chemical-formula> <weight>312.4</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">2026-08-28T17:10:30Z</created-at> <updated-at type="dateTime">2026-08-28T17:10:30Z</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)C=NN2C(=NNC2=S)C3=CC=CC=C3F</moldb-smiles> <moldb-formula>C16H13FN4S</moldb-formula> <moldb-inchi>InChI=1S/C16H13FN4S/c1-11-5-4-6-12(9-11)10-18-21-15(19-20-16(21)22)13-7-2-3-8-14(13)17/h2-10H,1H3,(H,20,22)/b18-10+</moldb-inchi> <moldb-inchikey>NAXPPNXDAMQARB-VCHYOVAHSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">312.0844958</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.7</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>CHEM296203</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>3-(2-fluorophenyl)-4-[(e)-(3-methylphenyl)methylideneamino]-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>CED0251587</sync-id> <structure-inchikey>NAXPPNXDAMQARB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000040000000000000000000000000000200000000000000000000000000008000208000002000000000000000001000000000000000000000008000000000000000000000100002000000000210000004000000000000000000100000010000000080100000000000000100000100000080000004000081000140000000800000200000000010000000000100000000000000000000000000000000000000400000080000000000000000000000000000000000000000000000000000000000000000000000000000000000042000000200000000000042000100008000000040000000000000800000000000000000080000004000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@(������@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">2026-09-19T05:10:25Z</structure-indexed-at> </compound>