310313 <common-name>3-(4-methylphenyl)-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one</common-name> <description>3-(4-methylphenyl)-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one is a chemical compound with the formula C18H13N3OS2. It has an average molecular weight of 351.40 g/mol.</description> <cas>64687-03-2</cas> <pubchem-id>3049371</pubchem-id> <chemical-formula>C18H13N3OS2</chemical-formula> <weight>351.4</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">2026-08-29T05:29:14Z</created-at> <updated-at type="dateTime">2026-08-29T05:29:14Z</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>CC1=CC=C(C=C1)N2C3=C(C(=O)N(C=N3)C4=CC=CC=C4)SC2=S</moldb-smiles> <moldb-formula>C18H13N3OS2</moldb-formula> <moldb-inchi>InChI=1S/C18H13N3OS2/c1-12-7-9-14(10-8-12)21-16-15(24-18(21)23)17(22)20(11-19-16)13-5-3-2-4-6-13/h2-11H,1H3</moldb-inchi> <moldb-inchikey>ZDFAAABYTWKXKD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">351.0500044</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.9</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>CHEM306206</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-methylphenyl)-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one</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>Diazines</klass> <subklass>Pyrimidines and pyrimidine derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0261292</sync-id> <structure-inchikey>ZDFAAABYTWKXKD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>220000000040000000100000002000000800000000005000000000000000000020000000000000002004000000000000000000000000008080000000000000080000000000000000000020000010000000800000000000000000000000000020000000020000000000000000000900000000000000000000000000004040000000800000000000000000000000000110000000000000080000020000000000000000000000080000000000000000080000000000000000000000000000000000000000000000000000000000008000042000001200000000000000000140000000000040000000080080000000000000000040000000000000</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���h���h� �h���h���(���h���h���h���h�B������������ � �� ��������� �������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:17:46Z</structure-indexed-at> </compound>