305928 <common-name>3-(4-ethoxyphenyl)-6-fluoro-2-methylquinazoline-4-thione</common-name> <description>3-(4-ethoxyphenyl)-6-fluoro-2-methylquinazoline-4-thione belongs to the benzodiazines, a subclass of diazanaphthalenes within the organic compounds. This organoheterocyclic compound has the chemical formula C17H15FN2OS and an average molecular weight of 314.40 g/mol.</description> <cas>49579-46-6</cas> <pubchem-id>206319</pubchem-id> <chemical-formula>C17H15FN2OS</chemical-formula> <weight>314.4</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">2026-08-28T23:38:08Z</created-at> <updated-at type="dateTime">2026-08-28T23:38:08Z</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)N2C(=NC3=C(C2=S)C=C(C=C3)F)C</moldb-smiles> <moldb-formula>C17H15FN2OS</moldb-formula> <moldb-inchi>InChI=1S/C17H15FN2OS/c1-3-21-14-7-5-13(6-8-14)20-11(2)19-16-9-4-12(18)10-15(16)17(20)22/h4-10H,3H2,1-2H3</moldb-inchi> <moldb-inchikey>MRCQTILLIQJURY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">314.0889124</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</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>CHEM301821</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>3-(4-ethoxyphenyl)-6-fluoro-2-methylquinazoline-4-thione</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>Organoheterocyclic compounds</superklass> <klass>Diazanaphthalenes</klass> <subklass>Benzodiazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0257001</sync-id> <structure-inchikey>MRCQTILLIQJURY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>210400800042000000000000000000000040000000004400000000000002000000200000000000002004000020000000000000000004000000080000000000000000000000000000000000000000000110000200000080000000000000000000000000000000100000002004000100000040000000000000000000000040000000004000000000000000000000000000000000020000000000000000000000000000040000080000002000000000080000000100000000000000000000000000000000000000000000020000000000042000000200000000000000000040000001000040000000000000800000000000000040000000000000</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���h�� h� �h���h�� h� �h���(� �h���h���h���h���� ����h�� h���h�B������������ �� � ������ ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:14:37Z</structure-indexed-at> </compound>