287475 <common-name>[(e)-[1-[(4-methoxy-3-nitrophenyl)methyl]imidazol-2-yl]methylideneamino]thiourea</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>9589075</pubchem-id> <chemical-formula>C13H14N6O3S</chemical-formula> <weight>334.36</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">2026-08-27T23:56:37Z</created-at> <updated-at type="dateTime">2026-08-27T23:56:37Z</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>COC1=C(C=C(C=C1)CN2C=CN=C2C=NNC(=S)N)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C13H14N6O3S</moldb-formula> <moldb-inchi>InChI=1S/C13H14N6O3S/c1-22-11-3-2-9(6-10(11)19(20)21)8-18-5-4-15-12(18)7-16-17-13(14)23/h2-7H,8H2,1H3,(H3,14,17,23)/b16-7+</moldb-inchi> <moldb-inchikey>HTOTXZBQWINZTQ-FRKPEAEDSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">334.0848095</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>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>CHEM283368</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>[(e)-[1-[(4-methoxy-3-nitrophenyl)methyl]imidazol-2-yl]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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Nitrobenzenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0239254</sync-id> <structure-inchikey>HTOTXZBQWINZTQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800240020000000800000000000000000000000000400000000000000202000000002000002010000000000000000000000000000400001000000000000000000000000000000020000000000300001804000080400000004020010000000240000080108000000000082104000000000000000010000000000040000000000400000000000080001000001400000000000000000000000000000000000000000000080000000000000000090000010000000020100080000000000000000000000000000000000000000000000000000220040000000000000000000000003040000000000000000000001120000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(������@(������@(������@h�������@(������@h�������@h��������`������@(������@h�������@h�������@(������@(�������h��������(�������h��������(�������(�������h������� *��������(������ *���ÿ�������� ��h���h���h���h���h����� � h� �h���h�� h� � ��(��� �� ��(��� �� ��(��� ��h� h�B������������ ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:00:50Z</structure-indexed-at> </compound>