328377 <common-name>[2-(4-methoxyanilino)-2-(4-methylphenyl)iminoethyl] n,n-diethylcarbamodithioate</common-name> <description>[2-(4-methoxyanilino)-2-(4-methylphenyl)iminoethyl] n,n-diethylcarbamodithioate is a chemical compound with the formula C21H27N3OS2. It has an average molecular weight of 401.60 g/mol.</description> <cas>105858-91-1</cas> <pubchem-id>60035</pubchem-id> <chemical-formula>C21H27N3OS2</chemical-formula> <weight>401.6</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">2026-08-30T08:14:19Z</created-at> <updated-at type="dateTime">2026-08-30T08:14:19Z</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>CCN(CC)C(=S)SCC(=NC1=CC=C(C=C1)C)NC2=CC=C(C=C2)OC</moldb-smiles> <moldb-formula>C21H27N3OS2</moldb-formula> <moldb-inchi>InChI=1S/C21H27N3OS2/c1-5-24(6-2)21(26)27-15-20(22-17-9-7-16(3)8-10-17)23-18-11-13-19(25-4)14-12-18/h7-14H,5-6,15H2,1-4H3,(H,22,23)</moldb-inchi> <moldb-inchikey>KQUSNIAIFDOOIX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">401.1595548</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.1</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>CHEM324270</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-methoxyanilino)-2-(4-methylphenyl)iminoethyl] n,n-diethylcarbamodithioate</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Aniline and substituted anilines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0278969</sync-id> <structure-inchikey>KQUSNIAIFDOOIX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800040020800000000000100000100200000001000000000008002000000200000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000100000204000000000000040000210000010050000000004000000000000800000000002000000080000000000040000400000000000000000080008000000000000000040000000800000000000000002000010000080000000000000000004000000000000000000088000000000000000004000000000000000000000000002000000200000000000000008100000002000040000000000080000000010000000000000000000000</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��� �����h���h�B������ ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:31:29Z</structure-indexed-at> </compound>