283743 <common-name>5-[(3-methylanilino)methyl]-2-sulfanylidene-1h-pyrimidin-4-one</common-name> <description>5-[(3-methylanilino)methyl]-2-sulfanylidene-1h-pyrimidin-4-one belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C12H13N3OS and an average molecular weight of 247.32 g/mol.</description> <cas>89665-64-5</cas> <pubchem-id>3021523</pubchem-id> <chemical-formula>C12H13N3OS</chemical-formula> <weight>247.32</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">2026-08-27T19:19:20Z</created-at> <updated-at type="dateTime">2026-08-27T19:19:20Z</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(=CC=C1)NCC2=CNC(=S)NC2=O</moldb-smiles> <moldb-formula>C12H13N3OS</moldb-formula> <moldb-inchi>InChI=1S/C12H13N3OS/c1-8-3-2-4-10(5-8)13-6-9-7-14-12(17)15-11(9)16/h2-5,7,13H,6H2,1H3,(H2,14,15,16,17)</moldb-inchi> <moldb-inchikey>ZNZAYHNFIFDNOF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">247.0779332</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.5</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>CHEM279636</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>5-[(3-methylanilino)methyl]-2-sulfanylidene-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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Toluenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0235649</sync-id> <structure-inchikey>ZNZAYHNFIFDNOF-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000000810040000000000000000000000100000000000000010000000000000020000000000008000000000000000000000000000000000000000000000000000000000000000000000020000000000001000000000002000000040000020000000000000000100000000000000000000000000000000004000001000140000000800000200000000080000000000004000000000000000000000000000000000004001000080000000080000000000000004000000000000000000000000000000000000000000000000000000000042000004280000000000000000100000000000045000100000000000000000000000000000000002000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@(������@h�������@h�������@h��������h��������`������@(������@h�������@8�������@(�������(������@8�������@(�������(�����������h���h���h���h���h��� ���� � h� �h���h�� (���h���h���(���h�� h�B������������ ���� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:58:13Z</structure-indexed-at> </compound>