75849 <common-name>Acetic acid, (4,6-dimethylpyrimidin-2-ylthio)-</common-name> <description>Acetic acid, (4,6-dimethylpyrimidin-2-ylthio)- belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. This organosulfur compound has the formula C8H10N2O2S1 and an average molecular weight of 198.24 g/mol.</description> <cas>55749-30-9</cas> <pubchem-id>41567</pubchem-id> <chemical-formula>C8H10N2O2S1</chemical-formula> <weight>198.24</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">2026-04-04T05:27:19Z</created-at> <updated-at type="dateTime">2026-08-24T11:22:29Z</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)=NC(SCC(O)=O)=N1</moldb-smiles> <moldb-formula>C8H10N2O2S1</moldb-formula> <moldb-inchi>InChI=1S/C8H10N2O2S/c1-5-3-6(2)10-8(9-5)13-4-7(11)12/h3H,4H2,1-2H3,(H,11,12)</moldb-inchi> <moldb-inchikey>ZISGTWODACVVLQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">198.24</moldb-average-mass> <moldb-mono-mass type="decimal">198.046298</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>37929</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>CHEM071742</chemdb-id> <dsstox-id>DTXSID80204307</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00033384</susdat-id> <iupac>2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetic acid</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">0</paper-count> <sync-id>CED0105864</sync-id> <structure-inchikey>ZISGTWODACVVLQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000800000000000000000000000000000000000000000000000000000004000000002004000000000000000000000000000000000000000000000000000000000000002020000000000000000000000000000000000000010000002000000200100000000000000000000000000000000000000000000040000002000000000000000000000000000000000000000001000000000000000000000000000000080000000008000000000000004000000000800000000000000000000000000000000000000000000000002010400000000000000000000000000001000040000000000400000000010000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>8102060000000000010821000080000000050000002020400200000450000009008000000000010000800080042000a0008c30090000443000a0000084110400020000000080102001624100000001104220403240000420000009000c28040400400200000000004030020120028030000de004110808400015000202440008044000000c00120088080008100c0012444010020404080000006000404300000000400001000840002c201002c200000041084010000000004002500000000424000a020180000000010280050000000040400000000000080001000000000000010004000000100100200000100010004000020000000050000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAANAAAADQAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAKAAAAAMEBgBgAAAAAQMHQCgAAAADAwZAKAAAAAMEEAAg AAAAAgYAYAAAAAICBgAoAAAAAwQIAGgAAAADAQEIACgAAAADAgdAKAAAAAMD CwABAAECaAwCA2gMAwQAAwVoDAUGaAwGBwAHCAAICQAJCiAJCygCBgxoDAwB aAxCAQAAAAYBDAYFAwIXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:24:02Z</structure-indexed-at> </compound>