364337 <common-name>4-methyl-3-methylsulfinyl-5-thiophen-2-yl-1,2,4-triazole</common-name> <description>4-methyl-3-methylsulfinyl-5-thiophen-2-yl-1,2,4-triazole is a compound with the formula C8H9N3OS2. It has an average molecular weight of 227.30 g/mol.</description> <cas>116850-55-6</cas> <pubchem-id>3088001</pubchem-id> <chemical-formula>C8H9N3OS2</chemical-formula> <weight>227.3</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">2026-09-01T14:17:15Z</created-at> <updated-at type="dateTime">2026-09-01T14:17:15Z</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=CS2</moldb-smiles> <moldb-formula>C8H9N3OS2</moldb-formula> <moldb-inchi>InChI=1S/C8H9N3OS2/c1-11-7(6-4-3-5-13-6)9-10-8(11)14(2)12/h3-5H,1-2H3</moldb-inchi> <moldb-inchikey>DNRLTSGCWKCYLZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">227.0187043</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.3</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>CHEM360230</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-methyl-3-methylsulfinyl-5-thiophen-2-yl-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>CED0314333</sync-id> <structure-inchikey>DNRLTSGCWKCYLZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000020000000000000000000000000000000000000000000040000000000000000000008000000020002100000000001000000000000000000000000000000000080000040000000000000020000010000000000000000000000002000000000000000000000008000000000000000100000000000000000000000000000040000000800000000000004000080000000000000000000000104000000000000040000200000000080000000080000000000000000000000800000000000001002000000000000000000000000000400000002000000200000000000000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADwAAAIABBgBgAAAAAQMHQCgAAAAD AwZAKAAAAAMEB0AoAAAAAwMHQCgAAAADAwZAKAAAAAMEEAAgAAAABAgAKAAA AAMCBgBgAAAAAQMGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMD ARBAKAAAAAMCCwABAAECaAwCA2gMAwRoDAQFaAwFBgAGBwgCBggAAgkgCQpo DAoLaAwLDGgMDA1oDAUBaAwNCWgMQgIAAAAFAQIDBAUFCgkNDAsXBAAAAAAA AAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:00:45Z</structure-indexed-at> </compound>