292540 <common-name>4,6,6-trimethyl-3-(2-methylphenyl)-1h-pyrimidine-2-thione</common-name> <description>4,6,6-trimethyl-3-(2-methylphenyl)-1h-pyrimidine-2-thione belongs to the n-phenylthioureas, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C14H18N2S and an average molecular weight of 246.37 g/mol.</description> <cas>6268-98-0</cas> <pubchem-id>3034175</pubchem-id> <chemical-formula>C14H18N2S</chemical-formula> <weight>246.37</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">2026-08-28T07:49:46Z</created-at> <updated-at type="dateTime">2026-08-28T07:49:46Z</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=C1N2C(=CC(NC2=S)(C)C)C</moldb-smiles> <moldb-formula>C14H18N2S</moldb-formula> <moldb-inchi>InChI=1S/C14H18N2S/c1-10-7-5-6-8-12(10)16-11(2)9-14(3,4)15-13(16)17/h5-9H,1-4H3,(H,15,17)</moldb-inchi> <moldb-inchikey>XFYAMZGXNIYVLI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">246.1190698</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</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>CHEM288433</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>4,6,6-trimethyl-3-(2-methylphenyl)-1h-pyrimidine-2-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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>N-phenylthioureas</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0244099</sync-id> <structure-inchikey>XFYAMZGXNIYVLI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000002000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000100000000200800000000000000000000000010000000000000000000100000000080000800000000000100000000000000000080000000000048000000800000200000000000000000000100000000000000000020000100000000000000000000080100000000000000000000000000000000000000000400000000000000000000010000010002000000042000000200000000000000000000000000000040000000000000000000000000000001000040000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEgAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAME BwAoAAAAAwMGACgAAAADBAYAaAAAAAMDAQYAIAAAAAQHAGgAAAADAgEGACgA AAADBBAAKAAAAAMCBgBgAAAAAQMGAGAAAAABAwYAYAAAAAEDCwABAAECaAwC A2gMAwRoDAQFaAwFBmgMBgcgBwggCAkoAgkKAAoLAAsMIAwNKAIKDgAKDwAI EAAGAWgMDAcgQgIAAAAGAQYFBAMCBggJCgsMBxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:04:43Z</structure-indexed-at> </compound>