286715 <common-name>N-[(4-chlorophenyl)sulfanylmethyl]-4-nitroaniline</common-name> <description>N-[(4-chlorophenyl)sulfanylmethyl]-4-nitroaniline belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C13H11ClN2O2S and an average molecular weight of 294.76 g/mol.</description> <cas nil="true"/> <pubchem-id>23116</pubchem-id> <chemical-formula>C13H11ClN2O2S</chemical-formula> <weight>294.76</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">2026-08-27T22:58:58Z</created-at> <updated-at type="dateTime">2026-08-27T22:58:58Z</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>C1=CC(=CC=C1NCSC2=CC=C(C=C2)Cl)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C13H11ClN2O2S</moldb-formula> <moldb-inchi>InChI=1S/C13H11ClN2O2S/c14-10-1-7-13(8-2-10)19-9-15-11-3-5-12(6-4-11)16(17)18/h1-8,15H,9H2</moldb-inchi> <moldb-inchikey>OWRLOGVOPJWMPD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">294.0229765</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.7</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>CHEM282608</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>N-[(4-chlorophenyl)sulfanylmethyl]-4-nitroaniline</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>Nitrobenzenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0238509</sync-id> <structure-inchikey>OWRLOGVOPJWMPD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000800000000800000000000000000100000080000000000000000000000000000004000000000000000000000000000000000000000000000000000000400000000000000000000020000000000000001000000000400040000800001080800210000000000000000000000000000000010000001000000000000000020000000000000000000080000000001000000010000001000020000000000000000000000000080000000080000000000000000000000000000000000000000000000000000000000000000010000000000000000200000000000000420000000000000040000000000000000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€��@h�������@h�������@(������@h�������@h�������@(�������h��������`������� �����@(������@h�������@h�������@(������@h�������@h�������� ����� *��������(������ *���ÿ�����h���h���h���h���h��� ������� � h� �h���h�� h� �h������ ��(��� ��h�� h�B������������ �� � ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:00:17Z</structure-indexed-at> </compound>