331074 <common-name>N'-(11-phenyl-6h-benzo[c][1]benzothiepin-11-yl)ethane-1,2-diamine</common-name> <description>N'-(11-phenyl-6h-benzo[c][1]benzothiepin-11-yl)ethane-1,2-diamine is a chemical compound with the formula C22H22N2S. It has an average molecular weight of 346.50 g/mol.</description> <cas nil="true"/> <pubchem-id>3069626</pubchem-id> <chemical-formula>C22H22N2S</chemical-formula> <weight>346.5</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">2026-08-30T11:48:01Z</created-at> <updated-at type="dateTime">2026-08-30T11:48:01Z</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=CC=CC=C2C(C3=CC=CC=C3S1)(C4=CC=CC=C4)NCCN</moldb-smiles> <moldb-formula>C22H22N2S</moldb-formula> <moldb-inchi>InChI=1S/C22H22N2S/c23-14-15-24-22(18-9-2-1-3-10-18)19-11-5-4-8-17(19)16-25-21-13-7-6-12-20(21)22/h1-13,24H,14-16,23H2</moldb-inchi> <moldb-inchikey>JPEMIBOJOGQXFJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">346.1503699</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.6</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>CHEM326967</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>N'-(11-phenyl-6h-benzo[c][1]benzothiepin-11-yl)ethane-1,2-diamine</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>Benzothiepins</klass> <subklass>Dibenzothiepins</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0281614</sync-id> <structure-inchikey>JPEMIBOJOGQXFJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000020000040000000000000000000000000000000000000000004000000000000004040000000000000000000000000000000000000008000000000000000000000000001010000000000000000000000008000100000000000000001000000000000000020000040000000400000000000010000008000000800000000400000080401000000100000000080000000000000000000000000000000000080000000000000000000800000000000000000000000000002000000000000000008000000000000008000002000200800000000000000000008000000040000000000000000000000080080081000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAZAAAAHAAAAIABBgBgAAAAAgIGQCgAAAAD BAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAME BgAgAAAABAZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMBBkBo AAAAAwMBBkAoAAAAAwQQACAAAAACBkAoAAAAAwQGQGgAAAADAwEGQGgAAAAD AwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEHAGAAAAACAQYAYAAAAAIC BgBgAAAAAgIHAGAAAAABAgsAAQABAmgMAgNoDAMEaAwEBWgMBQZoDAYHAAcI AAgJaAwJCmgMCgtoDAsMaAwMDWgMDQ4ABw8ADxBoDBARaAwREmgMEhNoDBMU aAwHFQAVFgAWFwAXGAAOAAAGAWgMDQhoDBQPaAxCBAAAAAcAAQYHCA0OBgID BAUGAQYJCgsMDQgGEBESExQPFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:33:29Z</structure-indexed-at> </compound>