336931 <common-name>3-[4-(9-methoxy-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol</common-name> <description>3-[4-(9-methoxy-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol is a chemical compound with the formula C23H30N2O2S2. It has an average molecular weight of 430.60 g/mol.</description> <cas nil="true"/> <pubchem-id>3041994</pubchem-id> <chemical-formula>C23H30N2O2S2</chemical-formula> <weight>430.6</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">2026-08-30T19:34:46Z</created-at> <updated-at type="dateTime">2026-08-30T19:34:46Z</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>COC1=CC2=C(CC(C3=C(S2)C=CC(=C3)SC)N4CCN(CC4)CCCO)C=C1</moldb-smiles> <moldb-formula>C23H30N2O2S2</moldb-formula> <moldb-inchi>InChI=1S/C23H30N2O2S2/c1-27-18-5-4-17-14-21(25-11-9-24(10-12-25)8-3-13-26)20-16-19(28-2)6-7-22(20)29-23(17)15-18/h4-7,15-16,21,26H,3,8-14H2,1-2H3</moldb-inchi> <moldb-inchikey>IJJPTLZJOGDKLK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">430.1748706</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.9</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>CHEM332824</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>3-[4-(9-methoxy-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol</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>CED0287385</sync-id> <structure-inchikey>IJJPTLZJOGDKLK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2080000000080000000000000000000040000201000000000000000000000020000000000000040020000000000000000000400000008000000400000000000000000000000000000400001000010001020000008000000004000001100000004000000010000000000002010004040000000000000010100000004008000000000000002000404000000000000000080008000100000000000000800000000000000008000100000000000000000000a000000040000080000000000040000000000000000000000000000000001000800200000000010000000000000002000040000000010000000000000008080000000000000008</structure-fingerprint> <structure-pattern-fingerprint>511600000533824085001b408128b000000016028105a000003560c08264084c4c220050128000000140410800c00000046002a5408d321100a6643120a04910c7110c081280360040901000007202000804058151091b3240040566502251000c28052f0048820040008400d5b40809208688508101e1841198784003510002104400084ef882080c0e0270c83c0028391d88125c001cb250200c2060c0408848c310101090c00002000968017c35108ac008008941084810a04a1008c00210801000a52498003301808600545102800c110000020050000d402200080103009010c990088100001140040351122000085002309442042e8100100052000202</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAdAAAAIAAAAIABBgBgAAAAAQMIACgAAAAD AgZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQGQCgAAAADBAYAYAAAAAICBgBg AAAAAwEGQCgAAAADBAZAKAAAAAMEEAAgAAAAAgZAaAAAAAMDAQZAaAAAAAMD AQZAKAAAAAMEBkBoAAAAAwMBEAAgAAAAAgYAYAAAAAEDBwAgAAAAAwYAYAAA AAICBgBgAAAAAgIHACAAAAADBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBg AAAAAgIGAGAAAAACAggAYAAAAAEBBkBoAAAAAwMBBkBoAAAAAwMBCwABAAEC IAIDaAwDBGgMBAVoDAUGAAYHAAcIAAgJaAwJCgAJC2gMCwxoDAwNaAwNDmgM DQ8ADxAABxEAERIAEhMAExQAFBUAFRYAFBcAFxgAGBkAGRoABRtoDBscaAwc AmgMCgQADghoDBYRAEIEAAAABgIcGwUEAwcGBQQKCQgHBgsMDQ4ICQYSExQV FhEXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:38:11Z</structure-indexed-at> </compound>