65389 <common-name>4-(4-Chlorophenyl)pyrimidine-2-thiol</common-name> <description>4-(4-Chlorophenyl)pyrimidine-2-thiol belongs to the pyrimidines and pyrimidine derivatives, a subclass of diazines within the organic compounds. This organoheterocyclic compound has the chemical formula C10H7Cl1N2S1 and an average molecular weight of 222.69 g/mol.</description> <cas>175203-08-4</cas> <pubchem-id>2735805</pubchem-id> <chemical-formula>C10H7Cl1N2S1</chemical-formula> <weight>222.69</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">2026-04-03T04:27:11Z</created-at> <updated-at type="dateTime">2026-08-18T04:29:50Z</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>ClC1=CC=C(C=C1)C1=CC=NC(=S)N1</moldb-smiles> <moldb-formula>C10H7Cl1N2S1</moldb-formula> <moldb-inchi>InChI=1S/C10H7ClN2S/c11-8-3-1-7(2-4-8)9-5-6-12-10(14)13-9/h1-6H,(H,12,13,14)</moldb-inchi> <moldb-inchikey>TWKIWOOKHPWUIM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">222.69</moldb-average-mass> <moldb-mono-mass type="decimal">222.001847</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2017491</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>CHEM061282</chemdb-id> <dsstox-id>DTXSID00370957</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00017823</susdat-id> <iupac>6-(4-chlorophenyl)-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>Organoheterocyclic compounds</superklass> <klass>Diazines</klass> <subklass>Pyrimidines and pyrimidine derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0123235</sync-id> <structure-inchikey>TWKIWOOKHPWUIM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000080000000000000000000000000000000000000002000000000000000000000000000000000000000000000400000000000000000000000000000000000000000000000000000001000000080000000000000200000800000000000000000000000000000000000000400020000000000200001000000800000000000000000000000000000000000000008000000000100080000000000000000080000000000000000000000000000000000000000000000000000000010000000040000804200000000000000000000000000002040000000010800000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>1100000102024000000800010820000080040000052200002120410200000c5002081700800000000001000080000004200020408c30010020443000a0000084110c00020000100080100001620000040001904220013240000420000040000c200404004002000000040044100201200080300009a04c1108082002510002024000080c4000080800120008080008110c0012440014820400080000000002c00300008000c00000000840013c231002c00000884108401000000000c002300020020404000a020180000000050280010000004240400001000000080001000000000000010004000000105002200000100010004000020000000050000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAOAAAADwAAAIABEQAgAAAAAQZAKAAAAAME BkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEG QCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQdAKAAAAAMDBkAoAAAAAwQQACgA AAADAgdAOAAAAAMBAwsAAQABAmgMAgNoDAMEaAwEBWgMBQZoDAQHIAcIaAwI CWgMCQpoDAoLaAwLDCgCCw1oDAYBaAwNB2gMQgIAAAAGAQYFBAMCBggJCgsN BxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:16:35Z</structure-indexed-at> </compound>