350351 <common-name>1-[(2-chloro-13-phenyl-12h-benzo[d][1,3,7]benzotriazonin-6-yl)methyl]-3-(4-ethoxyphenyl)thiourea</common-name> <description>1-[(2-chloro-13-phenyl-12h-benzo[d][1,3,7]benzotriazonin-6-yl)methyl]-3-(4-ethoxyphenyl)thiourea is a chemical compound with the formula C30H26ClN5OS. With an average molecular weight of 540.10 g/mol, 1-[(2-chloro-13-phenyl-12h-benzo[d][1,3,7]benzotriazonin-6-yl)methyl]-3-(4-ethoxyphenyl)thiourea is a heavy molecule.</description> <cas>103687-03-2</cas> <pubchem-id>24846979</pubchem-id> <chemical-formula>C30H26ClN5OS</chemical-formula> <weight>540.1</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">2026-08-31T15:22:17Z</created-at> <updated-at type="dateTime">2026-08-31T15:22:17Z</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>CCOC1=CC=C(C=C1)NC(=S)NCC2=NC3=CC=CC=C3NC(=C4C=C(C=CC4=N2)Cl)C5=CC=CC=C5</moldb-smiles> <moldb-formula>C30H26ClN5OS</moldb-formula> <moldb-inchi>InChI=1S/C30H26ClN5OS/c1-2-37-23-15-13-22(14-16-23)33-30(38)32-19-28-34-25-17-12-21(31)18-24(25)29(20-8-4-3-5-9-20)36-27-11-7-6-10-26(27)35-28/h3-18,36H,2,19H2,1H3,(H2,32,33,38)</moldb-inchi> <moldb-inchikey>HVTRKKVDSNODEC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">539.1546593</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.8</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>CHEM346244</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-[(2-chloro-13-phenyl-12h-benzo[d][1,3,7]benzotriazonin-6-yl)methyl]-3-(4-ethoxyphenyl)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>N-phenylthioureas</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0300658</sync-id> <structure-inchikey>HVTRKKVDSNODEC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400800042020120000000100400000104000080020400010000000042000000200001000000002004000000000000000000000000000000000001000000400000000000000000000000040000000100000200208000000000000000010080000010000000101000000000000000000040000000000000000000200040000400804000200000000080800000000102000000020000000000000000000000000080040000080000000000000800080000000000000000000000000000040000000000000000000000000010000000000000004200200001000000008000000001000040000000000000000000008000002000000000000000</structure-fingerprint> 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