294973 <common-name>3-phenyl-5h-[1,2,4]triazolo[3,4-a]phthalazine-6-thione</common-name> <description>3-phenyl-5h-[1,2,4]triazolo[3,4-a]phthalazine-6-thione belongs to the benzodiazines, a subclass of diazanaphthalenes within the organic compounds. This organoheterocyclic compound has the formula C15H10N4S and an average molecular weight of 278.30 g/mol.</description> <cas>87540-65-6</cas> <pubchem-id>3071235</pubchem-id> <chemical-formula>C15H10N4S</chemical-formula> <weight>278.3</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">2026-08-28T10:50:24Z</created-at> <updated-at type="dateTime">2026-08-28T10:50:24Z</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>C1=CC=C(C=C1)C2=NN=C3N2NC(=S)C4=CC=CC=C43</moldb-smiles> <moldb-formula>C15H10N4S</moldb-formula> <moldb-inchi>InChI=1S/C15H10N4S/c20-15-12-9-5-4-8-11(12)14-17-16-13(19(14)18-15)10-6-2-1-3-7-10/h1-9H,(H,18,20)</moldb-inchi> <moldb-inchikey>CTYNDEQALAAWPC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">278.0626175</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.7</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>CHEM290866</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-phenyl-5h-[1,2,4]triazolo[3,4-a]phthalazine-6-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>Diazanaphthalenes</klass> <subklass>Benzodiazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0246437</sync-id> <structure-inchikey>CTYNDEQALAAWPC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000000000000000000000000000000000400000000002004000000000000000000080002200000000000000000000000000000000000040000000000000000000000008000000000000000000000000000000000000000000000000100000000010000000000000000000000000000800000200000000000880000000100000000000000000000000000000000020000040000080000010000000000000000000000000800080000000000040000000000000000000020000000008000042000000200000000000000000000000000000040000000000000000000000000000000000000004020</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���h� �h�� h���h�B�������������� ������ �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:06:27Z</structure-indexed-at> </compound>