300265 <common-name>8-fluoro-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-1-benzazepine-2-thione</common-name> <description>8-fluoro-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-1-benzazepine-2-thione belongs to the benzazepines, a class of organoheterocyclic compounds within the organic compounds. It has the chemical formula C16H13F2NS and an average molecular weight of 289.30 g/mol.</description> <cas>77796-17-9</cas> <pubchem-id>3060173</pubchem-id> <chemical-formula>C16H13F2NS</chemical-formula> <weight>289.3</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">2026-08-28T17:06:33Z</created-at> <updated-at type="dateTime">2026-08-28T17:06:33Z</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>C1CC(=S)NC2=C(C1C3=CC=C(C=C3)F)C=CC(=C2)F</moldb-smiles> <moldb-formula>C16H13F2NS</moldb-formula> <moldb-inchi>InChI=1S/C16H13F2NS/c17-11-3-1-10(2-4-11)13-7-8-16(20)19-15-9-12(18)5-6-14(13)15/h1-6,9,13H,7-8H2,(H,19,20)</moldb-inchi> <moldb-inchikey>NVHIOYDDAKIQLD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">289.0736769</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.7</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>CHEM296158</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>8-fluoro-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-1-benzazepine-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>Benzazepines</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0251542</sync-id> <structure-inchikey>NVHIOYDDAKIQLD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000002040000000000000000000000000008000000000020000000000000000000000000000000000000000000000800000000000000000000000000000000000000000000000000002008000000010000000000000000000000000000000000000000000100008000000020010000000000000000000101011000008000000000000200000000000000000000000000000000000000001000000000004000000000000480000002000000000000000000100000000000000000000000000000000000000000000020000000000040000200200000000000010040000000000000040000000000000800000000000020000000000000000</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�B������������� �� ������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:10:23Z</structure-indexed-at> </compound>