277091 <common-name>2-[n-[2-(4-chlorophenoxy)propoxy]-c-propylcarbonimidoyl]-3-hydroxy-5-(thian-3-yl)cyclohex-2-en-1-one</common-name> <description>2-[n-[2-(4-chlorophenoxy)propoxy]-c-propylcarbonimidoyl]-3-hydroxy-5-(thian-3-yl)cyclohex-2-en-1-one is a chemical compound with the formula C48H64Cl2N2O8S2. With an average molecular weight of 932.10 g/mol, 2-[n-[2-(4-chlorophenoxy)propoxy]-c-propylcarbonimidoyl]-3-hydroxy-5-(thian-3-yl)cyclohex-2-en-1-one is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>136340455</pubchem-id> <chemical-formula>C48H64Cl2N2O8S2</chemical-formula> <weight>932.1</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">2026-08-26T16:54:33Z</created-at> <updated-at type="dateTime">2026-08-26T16:54:33Z</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>CCCC(=NOCC(C)OC1=CC=C(C=C1)Cl)C2=C(CC(CC2=O)C3CCCSC3)O.CCCC(=NOCC(C)OC1=CC=C(C=C1)Cl)C2=C(CC(CC2=O)C3CCCSC3)O</moldb-smiles> <moldb-formula>C48H64Cl2N2O8S2</moldb-formula> <moldb-inchi>InChI=1S/2C24H32ClNO4S/c2*1-3-5-21(26-29-14-16(2)30-20-9-7-19(25)8-10-20)24-22(27)12-18(13-23(24)28)17-6-4-11-31-15-17/h2*7-10,16-18,27H,3-6,11-15H2,1-2H3</moldb-inchi> <moldb-inchikey>YGGAXBWWQGOXQW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">930.3481147</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM272984</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-[n-[2-(4-chlorophenoxy)propoxy]-c-propylcarbonimidoyl]-3-hydroxy-5-(thian-3-yl)cyclohex-2-en-1-one</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 nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0229272</sync-id> <structure-inchikey>YGGAXBWWQGOXQW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000400000008000000002000000000000000000000000800100000000000810020800202000040001000000000000000011000000000000000000000000000000004100004000000000000000200080100001008003040000010000000004200100808800008000000000000000000200010000008000000000001008000000d002000000000000000000000040000000000000000024000000000000000000000c000000040000080000000000000000000000000000000000000000000008000000002000400080000000000010000000000200000200000000000000000008000000000040000000008000000000000000000000000000040000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAA+AAAAQgAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgAoAAAAAwQHACgAAAADAwgAKAAAAAMCBgBgAAAAAgIGAGAA AAADAQYAYAAAAAEDCAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMD AQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBEQAgAAAAAQYAKAAAAAMEBgAo AAAAAwQGAGAAAAACAgYAYAAAAAMBBgBgAAAAAgIGACgAAAADBAgAKAAAAAMC BgBgAAAAAwEGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIQACAAAAACBgBgAAAA AgIIAGgAAAADAQEGAGAAAAABAwYAYAAAAAICBgBgAAAAAgIGACgAAAADBAcA KAAAAAMDCAAoAAAAAwIGAGAAAAACAgYAYAAAAAMBBgBgAAAAAQMIACgAAAAD AgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEG QGgAAAADAwERACAAAAABBgAoAAAAAwQGACgAAAADBAYAYAAAAAICBgBgAAAA AwEGAGAAAAACAgYAKAAAAAMECAAoAAAAAwIGAGAAAAADAQYAYAAAAAICBgBg AAAAAgIGAGAAAAACAhAAIAAAAAIGAGAAAAACAggAaAAAAAMBAQsAAQABAgAC AwADBCgCBAUgBQYABgcABwgABwkACQogCgtoDAsMaAwMDWgMDQ5oDA4PaAwN EAADESAREigCEhMAExQAFBUAFRYAFhcoAhQYABgZABkaABobABscABwdABIe IB8gACAhACEiACIjKAIjJCAkJQAlJgAmJwAmKAAoKSApKmgMKitoDCssaAws LWgMLS5oDCwvACIwIDAxKAIxMgAyMwAzNAA0NQA1NigCMzcANzgAODkAOToA OjsAOzwAMT0gDwpoDC4paAwWESA1MCAdGAA8NwBCBgAAAAYLDA0ODwoGEhMU FRYRBhkaGxwdGAYqKywtLikGMTIzNDUwBjg5Ojs8NxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:52:49Z</structure-indexed-at> </compound>