64349 <common-name>2-[(2-Chlorobenzyl)thio]-6-methylpyrimidin-4-ol</common-name> <description>2-[(2-Chlorobenzyl)thio]-6-methylpyrimidin-4-ol belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. This organosulfur compound has the formula C12H11Cl1N2O1S1 and an average molecular weight of 266.74 g/mol.</description> <cas>91397-92-1</cas> <pubchem-id>241165</pubchem-id> <chemical-formula>C12H11Cl1N2O1S1</chemical-formula> <weight nil="true"/> <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">2026-04-03T02:11:56Z</created-at> <updated-at type="dateTime">2026-04-03T02:11:56Z</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(=O)N=C(N1)SCC1=CC=CC=C1Cl</moldb-smiles> <moldb-formula>C12H11Cl1N2O1S1</moldb-formula> <moldb-inchi>InChI=1S/C12H11ClN2OS/c1-8-6-11(16)15-12(14-8)17-7-9-4-2-3-5-10(9)13/h2-6H,7H2,1H3,(H,14,15,16)</moldb-inchi> <moldb-inchikey>JMFQIUITYYSCIG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">266.74</moldb-average-mass> <moldb-mono-mass type="decimal">266.028061</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>210755</chemspider-id> <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>CHEM060242</chemdb-id> <dsstox-id>DTXSID30286936</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00016542</susdat-id> <iupac>2-[(2-chlorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-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>Organosulfur compounds</superklass> <klass>Thioethers</klass> <subklass>Aryl thioethers</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0061868</sync-id> <structure-inchikey>JMFQIUITYYSCIG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000800000000000000000000000000000000000000000001000030000004000002002000000000000000000000000000000000004000000000400000000000000000000020000000000000000000000000002000000000000000000000000000100200000000000000000000020000000000000000004040000000800000200000000000000000000100000000000000000000000000020000000004004000080000000000000000000000000000000000000000000000000000040000000000000000000010000000002000004200000000000000000000001001000040000000000000000000002000200000400000800001</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEgAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAKAAAAAMECAAoAAAAAwIHQCgAAAADAwZAKAAAAAMEB0A4 AAAAAwEDEAAgAAAAAgYAYAAAAAICBkAoAAAAAwQGQGgAAAADAwEGQGgAAAAD AwEGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBBEAIAAAAAELAAEAAQJoDAID aAwDBCgCAwVoDAUGaAwGB2gMBggACAkACQoACgtoDAsMaAwMDWgMDQ5oDA4P aAwPEAAHAWgMDwpoDEICAAAABgEHBgUDAgYLDA0ODwoXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:16:28Z</structure-indexed-at> </compound>