286667 <common-name>6-hydroxy-2-methyl-4-oxo-5-phenylthiopyran-3-carboxylic acid</common-name> <description>6-hydroxy-2-methyl-4-oxo-5-phenylthiopyran-3-carboxylic acid belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has the formula C13H10O4S and an average molecular weight of 262.28 g/mol.</description> <cas>20076-86-2</cas> <pubchem-id>88360</pubchem-id> <chemical-formula>C13H10O4S</chemical-formula> <weight>262.28</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">2026-08-27T22:56:03Z</created-at> <updated-at type="dateTime">2026-08-27T22:56:03Z</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=C(C(=O)C(=C(S1)O)C2=CC=CC=C2)C(=O)O</moldb-smiles> <moldb-formula>C13H10O4S</moldb-formula> <moldb-inchi>InChI=1S/C13H10O4S/c1-7-9(12(15)16)11(14)10(13(17)18-7)8-5-3-2-4-6-8/h2-6,17H,1H3,(H,15,16)</moldb-inchi> <moldb-inchikey>YDTRHUZOOVJOAN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">262.02998</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.8</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>CHEM282560</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>6-hydroxy-2-methyl-4-oxo-5-phenylthiopyran-3-carboxylic 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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0238465</sync-id> <structure-inchikey>YDTRHUZOOVJOAN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000000000000000000000000000002004000000000001000000000000000000000060000000000000000004040000000000000080000000000000000400000000000400200000000080000020000010000000000000008000000000000000010000000000000000000000000000000000001000000000000000000000000040000000800000000000000000800000000100000000000000000000000000000000000000000000080000000000000000000000000000000000002000000000000000002000000000000000000000000000402000001200000000000000000000000000000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@(�������(������@(������@(������@(�������h�������@(������@h�������@h�������@h�������@h�������@h��������(�������(�������h������������h���h���(���h���h���h��� � h� �h���h�� h� �h��� ��(��� ��h�� h�B������������ �� � ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:00:15Z</structure-indexed-at> </compound>