315635 <common-name>14-methyl-6-phenyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene</common-name> <description>14-methyl-6-phenyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene is a chemical compound with the formula C19H13N5S. It has an average molecular weight of 343.40 g/mol.</description> <cas nil="true"/> <pubchem-id>3078014</pubchem-id> <chemical-formula>C19H13N5S</chemical-formula> <weight>343.4</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">2026-08-29T13:03:51Z</created-at> <updated-at type="dateTime">2026-08-29T13:03:51Z</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>CC1=CC2=CC3=C(N=C2C=C1)SC4=NN=C(N4N=C3)C5=CC=CC=C5</moldb-smiles> <moldb-formula>C19H13N5S</moldb-formula> <moldb-inchi>InChI=1S/C19H13N5S/c1-12-7-8-16-14(9-12)10-15-11-20-24-17(13-5-3-2-4-6-13)22-23-19(24)25-18(15)21-16/h2-11H,1H3</moldb-inchi> <moldb-inchikey>NJZDHYBUYKNWHZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">343.0891666</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.4</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>CHEM311528</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>14-methyl-6-phenyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene</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>Organosulfur compounds</superklass> <klass>Thioethers</klass> <subklass>Aryl thioethers</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0266491</sync-id> <structure-inchikey>NJZDHYBUYKNWHZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000000000001000000000000000000000000000000000002004000000000002000000000000200002000000000000000000000000000000000000020010000000000000008001000000000000000000000000002000100011000000000100000040000000000004000000000040000000844000000000002000880000000100000000000000000000000000000000080000400000080008000000000480800040000000000800000000000000000000000000000000000000000000000000002000000200000000000000000100000001000040000000000000000001000000400001000000000008</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���h���h� �h���h��� ��h���h�B������ ������������������� ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:21:50Z</structure-indexed-at> </compound>