326350 <common-name>[3-[(e)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate</common-name> <description>[3-[(e)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate is a chemical compound with the formula C21H21Cl2N3O2S. It has an average molecular weight of 450.40 g/mol.</description> <cas>765296-85-3</cas> <pubchem-id>45054797</pubchem-id> <chemical-formula>C21H21Cl2N3O2S</chemical-formula> <weight>450.4</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">2026-08-30T04:34:08Z</created-at> <updated-at type="dateTime">2026-08-30T04:34:08Z</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>C1CCC(CC1)NC(=S)NN=CC2=CC(=CC=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl</moldb-smiles> <moldb-formula>C21H21Cl2N3O2S</moldb-formula> <moldb-inchi>InChI=1S/C21H21Cl2N3O2S/c22-15-9-10-18(19(23)12-15)20(27)28-17-8-4-5-14(11-17)13-24-26-21(29)25-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7H2,(H2,25,26,29)/b24-13+</moldb-inchi> <moldb-inchikey>JCSKWPQTDZFEMH-ZMOGYAJESA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">449.0731535</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.1</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>CHEM322243</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-[(e)-(cyclohexylcarbamothioylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate</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>Phenylpropanoids and polyketides</superklass> <klass>Depsides and depsidones</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0276970</sync-id> <structure-inchikey>JCSKWPQTDZFEMH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000000000010000000400200000000400004000000000000800000000000000000000004022000000000020000100000000008000000002000000000000000000000106000000000000000000000200000000003200000040000000000000000000100800000000000a01000200000000a0000000000000000000000100801000000000000800000000000001090000000000000400000000000000000000000080004000000400000080000000000000800000000000000400000000000000000000000000000000020000180000010000000000040000200000000000000000000000000001040000000000400000000000000000120000000004000</structure-fingerprint> 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