332220 <common-name>2-[4-[2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]ethyl]piperazin-1-yl]ethanol</common-name> <description>2-[4-[2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]ethyl]piperazin-1-yl]ethanol is a chemical compound with the formula C22H27ClN2OS2. It has an average molecular weight of 435.00 g/mol.</description> <cas nil="true"/> <pubchem-id>3079211</pubchem-id> <chemical-formula>C22H27ClN2OS2</chemical-formula> <weight>435</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">2026-08-30T13:22:30Z</created-at> <updated-at type="dateTime">2026-08-30T13:22:30Z</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>C1CN(CCN1CCO)CCSC2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24</moldb-smiles> <moldb-formula>C22H27ClN2OS2</moldb-formula> <moldb-inchi>InChI=1S/C22H27ClN2OS2/c23-18-5-6-20-17(15-18)16-22(19-3-1-2-4-21(19)28-20)27-14-12-25-9-7-24(8-10-25)11-13-26/h1-6,15,22,26H,7-14,16H2</moldb-inchi> <moldb-inchikey>AQTJNMOZNXPEEC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">434.1253335</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.3</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>CHEM328113</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>2-[4-[2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]ethyl]piperazin-1-yl]ethanol</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>CED0282740</sync-id> <structure-inchikey>AQTJNMOZNXPEEC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2080000000080000000000040000100004008201000000000020000000000000000000000010000004000000000000000000400000000000000000000040000000000000000000000000001000000000000000008000000000000001008000000000000010000000000002010004000000080000000010100000002200000080000000000000404000000200010000400008000000000000000000000000000000000008000000000000000000000000a000000000000000200000000040000000000000000000000010000000000000000200000000010000002000000000000040000000000000000800000000000004000000880008</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�B������������ ������������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:34:30Z</structure-indexed-at> </compound>