301501 <common-name>1-(3-chlorophenyl)-3-[(e)-[4-(dimethylamino)phenyl]methylideneamino]thiourea</common-name> <description>1-(3-chlorophenyl)-3-[(e)-[4-(dimethylamino)phenyl]methylideneamino]thiourea belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. It has the chemical formula C16H17ClN4S and an average molecular weight of 332.90 g/mol.</description> <cas>764653-45-4</cas> <pubchem-id>9631057</pubchem-id> <chemical-formula>C16H17ClN4S</chemical-formula> <weight>332.9</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">2026-08-28T18:33:40Z</created-at> <updated-at type="dateTime">2026-08-28T18:33:40Z</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>CN(C)C1=CC=C(C=C1)C=NNC(=S)NC2=CC(=CC=C2)Cl</moldb-smiles> <moldb-formula>C16H17ClN4S</moldb-formula> <moldb-inchi>InChI=1S/C16H17ClN4S/c1-21(2)15-8-6-12(7-9-15)11-18-20-16(22)19-14-5-3-4-13(17)10-14/h3-11H,1-2H3,(H2,19,20,22)/b18-11+</moldb-inchi> <moldb-inchikey>XPNRQZTXCXNUBZ-WOJGMQOQSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">332.0862454</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>CHEM297394</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>1-(3-chlorophenyl)-3-[(e)-[4-(dimethylamino)phenyl]methylideneamino]thiourea</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>Organic nitrogen compounds</superklass> <klass>Organonitrogen compounds</klass> <subklass>Amines</subklass> <paper-count type="integer">2</paper-count> <sync-id>CED0054724</sync-id> <structure-inchikey>XPNRQZTXCXNUBZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000040020000000000000400008100000080000000000002000000000402000000000000000000000000000000000000000000000000000000000000400000008000000000000000000000000221000004004000000000000000010000000000000080104000000000080000000080000000000000000001000040000000808000000080000080100000000000000000000000000000000000000000000000000000180000000000000800000040000000000000000000000000000000000000000000000000000010000800000000000200000000000000008000000000001040000000000000000000008000000000000000004000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAWAAAAFwAAAIABBgBgAAAAAQMHACgAAAAD AwYAYAAAAAEDBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZA aAAAAAMDAQZAaAAAAAMDAQYAaAAAAAMDAQcAKAAAAAMDBwBoAAAAAwIBBgAo AAAAAwQQACgAAAADAgcAaAAAAAMCAQZAKAAAAAMEBkBoAAAAAwMBBkAoAAAA AwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwERACAAAAABCwABAAECAAED IAMEaAwEBWgMBQZoDAYHaAwHCGgMBgkgCQooAgoLIAsMIAwNKAIMDiAODyAP EGgMEBFoDBESaAwSE2gMExRoDBEVAAgDaAwUD2gMQgIAAAAGAwgHBgUEBhAR EhMUDxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:11:11Z</structure-indexed-at> </compound>