286658 <common-name>10-(4-methoxyphenyl)-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraene-2-thione</common-name> <description>10-(4-methoxyphenyl)-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraene-2-thione belongs to the triazoles, a subclass of azoles within the organic compounds. This organoheterocyclic compound has the chemical formula C13H10N6OS and an average molecular weight of 298.33 g/mol.</description> <cas>141300-36-9</cas> <pubchem-id>3072263</pubchem-id> <chemical-formula>C13H10N6OS</chemical-formula> <weight>298.33</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">2026-08-27T22:55:22Z</created-at> <updated-at type="dateTime">2026-08-27T22:55:22Z</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>COC1=CC=C(C=C1)N2C=NN3C2=NC4=C(C3=S)C=NN4</moldb-smiles> <moldb-formula>C13H10N6OS</moldb-formula> <moldb-inchi>InChI=1S/C13H10N6OS/c1-20-9-4-2-8(3-5-9)18-7-15-19-12(21)10-6-14-17-11(10)16-13(18)19/h2-7H,1H3,(H,14,17)</moldb-inchi> <moldb-inchikey>QMKLTYOWSWWWPN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">298.0636801</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.5</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>CHEM282551</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>10-(4-methoxyphenyl)-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraene-2-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>CED0238457</sync-id> <structure-inchikey>QMKLTYOWSWWWPN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>1000810020020040400002000000000000000000000000004000000000000000000000200000000000002000000008000000000000000000000000000000000400080000000080400000000000002000000100000200000000000000040000000000010040000000000000000000000900000000000000000000000000000040000000000000209000000080000000000000001000000000080000000000000000000000040000480000000000000000000000000020000000000180000000000000000000000100000000000000000000040000000200000000000000000040000001000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAVAAAAGAAAAIABBgBgAAAAAQMIACgAAAAD AgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEG QGgAAAADAwEHQCgAAAADAwZAaAAAAAMDAQdAKAAAAAMDB0AoAAAAAwMGQCgA AAADBAdAKAAAAAMDBkAoAAAAAwQGQCgAAAADBAZAKAAAAAMEEAAoAAAAAwIG QGgAAAADAwEHQCgAAAADAwdAOAAAAAMBAwsAAQABAiACA2gMAwRoDAQFaAwF BmgMBgdoDAUIIAgJaAwJCmgMCgtoDAsMaAwMDWgMDQ5oDA4PaAwPEGgMEBEo Ag8SaAwSE2gMExRoDAcCaAwMCGgMEAtoDBQOaAxCBAAAAAYCBwYFBAMFCQgM CwoGDQ4PEAsMBRIPDhQTFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:00:15Z</structure-indexed-at> </compound>