346859 <common-name>4-[[2-ethoxy-5-[(4-pentoxyphenyl)carbamothioylamino]phenyl]methoxy]benzenesulfonic acid</common-name> <description>4-[[2-ethoxy-5-[(4-pentoxyphenyl)carbamothioylamino]phenyl]methoxy]benzenesulfonic acid is a chemical compound with the formula C27H32N2O6S2. With an average molecular weight of 544.70 g/mol, 4-[[2-ethoxy-5-[(4-pentoxyphenyl)carbamothioylamino]phenyl]methoxy]benzenesulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>3038344</pubchem-id> <chemical-formula>C27H32N2O6S2</chemical-formula> <weight>544.7</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">2026-08-31T10:24:31Z</created-at> <updated-at type="dateTime">2026-08-31T10:24:31Z</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>CCCCCOC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)OCC)COC3=CC=C(C=C3)S(=O)(=O)O</moldb-smiles> <moldb-formula>C27H32N2O6S2</moldb-formula> <moldb-inchi>InChI=1S/C27H32N2O6S2/c1-3-5-6-17-34-23-10-7-21(8-11-23)28-27(36)29-22-9-16-26(33-4-2)20(18-22)19-35-24-12-14-25(15-13-24)37(30,31)32/h7-16,18H,3-6,17,19H2,1-2H3,(H2,28,29,36)(H,30,31,32)</moldb-inchi> <moldb-inchikey>UJJLSGCSQUVRSD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">544.1701791</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.4</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>CHEM342752</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>4-[[2-ethoxy-5-[(4-pentoxyphenyl)carbamothioylamino]phenyl]methoxy]benzenesulfonic acid</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>CED0297207</sync-id> <structure-inchikey>UJJLSGCSQUVRSD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000800242020100000000000000008100000000000400000000000002000001200000020001000000000000004000000000000000000000000000000000000000018800000020000022000000000100001200000040000000000020010000000010000000100000000000000000000000000000200000000020000040000400000000000000000080000000000000000000020040000000000000000000000004000000080000000000000808080000088000000000000000000000000000000000000000000000000000000000000000000200000000000000008000000000000040000020010000000000008020000000002000000000</structure-fingerprint> 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