300651 <common-name>9-phenyl-5-thia-1,8-diazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraene</common-name> <description>9-phenyl-5-thia-1,8-diazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraene belongs to the thienodiazepines, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C16H14N2S and an average molecular weight of 266.40 g/mol.</description> <cas>136334-12-8</cas> <pubchem-id>3077900</pubchem-id> <chemical-formula>C16H14N2S</chemical-formula> <weight>266.4</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">2026-08-28T17:32:03Z</created-at> <updated-at type="dateTime">2026-08-28T17:32:03Z</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>C1C2=C(C=CS2)N3C=CC=C3C(N1)C4=CC=CC=C4</moldb-smiles> <moldb-formula>C16H14N2S</moldb-formula> <moldb-inchi>InChI=1S/C16H14N2S/c1-2-5-12(6-3-1)16-14-7-4-9-18(14)13-8-10-19-15(13)11-17-16/h1-10,16-17H,11H2</moldb-inchi> <moldb-inchikey>POJIZNXDINVFNJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">266.0877696</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>CHEM296544</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>9-phenyl-5-thia-1,8-diazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraene</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>Thienodiazepines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0251913</sync-id> <structure-inchikey>POJIZNXDINVFNJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200100020000000000001000000000000000000000000000000000000000000000000000000000000000000000000040000000000000000000000a0000002000000000020080000000000000000000000000010000000000000000000000000000000000000000000000000000002004000020100000000000000000000100000000400040000800400200000000000000000000100000000000000000001000100000000000000000000080000000000004000000000000000041000200000000001000000000000000000000001000000000000000000000200000000000000000000000000000040000000000100000004000000000000000000000000</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���h�� h� h� ������ � �h���h���h���h���h������h� �h�� h�B��������� ����������� ������� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:10:38Z</structure-indexed-at> </compound>