286785 <common-name>1-(3-nitrophenyl)-3-phenylthiourea</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>682635</pubchem-id> <chemical-formula>C13H11N3O2S</chemical-formula> <weight>273.31</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">2026-08-27T23:05:41Z</created-at> <updated-at type="dateTime">2026-08-27T23:05:41Z</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=C(C=C1)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C13H11N3O2S</moldb-formula> <moldb-inchi>InChI=1S/C13H11N3O2S/c17-16(18)12-8-4-7-11(9-12)15-13(19)14-10-5-2-1-3-6-10/h1-9H,(H2,14,15,19)</moldb-inchi> <moldb-inchikey>NVMXWDIGHPOMQP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">273.0571978</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2</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>CHEM282678</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-nitrophenyl)-3-phenylthiourea</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>N-phenylthioureas</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0238577</sync-id> <structure-inchikey>NVMXWDIGHPOMQP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40020000000000000000008100000000000000000000000000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000020000000000001001000000000400000000000010000000200000000100000000000000000000000000000000000000001000000000400800000000000000080000000001100000000000000000020000000000000000000000000080000000000000800000000000000000000000000000000000000000020000000000000000000000000000000000208000000000000408000000000000040000000000000000800009000000000002000000000</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������� *��������(������ *���ÿ�����h���h���h���h���h��� �� ��(�� �h���h�� h� �h���h��� ��(��� ��h�� h�B�������������� �� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:00:20Z</structure-indexed-at> </compound>