277457 <common-name>3-(2-fluorophenyl)-4-methyl-5-methylsulfinyl-1,2,4-triazole</common-name> <description>3-(2-fluorophenyl)-4-methyl-5-methylsulfinyl-1,2,4-triazole belongs to the triazoles, a subclass of azoles within the organic compounds. This organoheterocyclic compound has the chemical formula C10H10FN3OS and an average molecular weight of 239.27 g/mol.</description> <cas>116850-53-4</cas> <pubchem-id>3088000</pubchem-id> <chemical-formula>C10H10FN3OS</chemical-formula> <weight>239.27</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">2026-08-26T17:16:24Z</created-at> <updated-at type="dateTime">2026-08-26T17:16:24Z</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=C1S(=O)C)C2=CC=CC=C2F</moldb-smiles> <moldb-formula>C10H10FN3OS</moldb-formula> <moldb-inchi>InChI=1S/C10H10FN3OS/c1-14-9(12-13-10(14)16(2)15)7-5-3-4-6-8(7)11/h3-6H,1-2H3</moldb-inchi> <moldb-inchikey>CNROQGMFSMASNW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">239.0528613</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.6</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>CHEM273350</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-methyl-5-methylsulfinyl-1,2,4-triazole</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>CED0229599</sync-id> <structure-inchikey>CNROQGMFSMASNW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000008000002000000000001000001000000000000000000000000000080000040000000000000022000000000010000000000000000000000000000000000000000008000000000000000100000000000080000000000080000040000000800000000000004000080002000100000000000000104000000000000040000000000000080000000080000000000000000000000800000000000000000000000000000000000000000000400000002000000200000000000000000000008000000040000000000000800000000000000000000000000000</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">2026-09-19T04:53:11Z</structure-indexed-at> </compound>