328134 <common-name>2-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol</common-name> <description>2-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol is a chemical compound with the formula C21H26N2OS2. It has an average molecular weight of 386.60 g/mol.</description> <cas nil="true"/> <pubchem-id>3044590</pubchem-id> <chemical-formula>C21H26N2OS2</chemical-formula> <weight>386.6</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">2026-08-30T07:57:36Z</created-at> <updated-at type="dateTime">2026-08-30T07:57:36Z</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>CSC1=CC2=C(C=C1)SC3=CC=CC=C3C(C2)N4CCN(CC4)CCO</moldb-smiles> <moldb-formula>C21H26N2OS2</moldb-formula> <moldb-inchi>InChI=1S/C21H26N2OS2/c1-25-17-6-7-20-16(14-17)15-19(18-4-2-3-5-21(18)26-20)23-10-8-22(9-11-23)12-13-24/h2-7,14,19,24H,8-13,15H2,1H3</moldb-inchi> <moldb-inchikey>PAEZKSLWEVITJZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">386.1486558</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</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>CHEM324027</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-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)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>CED0278729</sync-id> <structure-inchikey>PAEZKSLWEVITJZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2080000000080000000000000000100044000201000000000000000000000000000000000010000024000000000000000000400000000000000000000000000000000000000000000000001000000001000000008000000000000001100000000000000010000000000002010004000000080000000010100000004000000080000000000000404000000000010000400008000100000000000000800000000000000008000100000000000000000000a000000040000000000000000040000000000000000000000000000000001000800200200000010000000000000002000040000000000000000000000000000000000000000008</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">2026-09-19T05:31:17Z</structure-indexed-at> </compound>