102454 <common-name>Ammonium 3-hydroxy-5-methylbenzenesulphonate</common-name> <description>Ammonium 3-hydroxy-5-methylbenzenesulphonate belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the formula C7H8O4S and an average molecular weight of 205.23 g/mol.</description> <cas>98-20-4</cas> <pubchem-id>3024881</pubchem-id> <chemical-formula>C7H8O4S</chemical-formula> <weight nil="true"/> <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">2026-04-05T09:31:23Z</created-at> <updated-at type="dateTime">2026-04-05T09:31:23Z</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>[NH4+].CC1=CC(O)=CC(=C1)S([O-])(=O)=O</moldb-smiles> <moldb-formula>C7H8O4S</moldb-formula> <moldb-inchi>InChI=1/C7H8O4S.H3N/c1-5-2-6(8)4-7(3-5)12(9,10)11;/h2-4,8H,1H3,(H,9,10,11);1H3</moldb-inchi> <moldb-inchikey>MEEPLHRCZWVNGD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">205.23</moldb-average-mass> <moldb-mono-mass type="decimal">188.0143297</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM098347</chemdb-id> <dsstox-id>DTXSID80242946</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00065911</susdat-id> <iupac nil="true"/> <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>Benzenesulfonic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0097072</sync-id> <structure-inchikey>MEEPLHRCZWVNGD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>100000000000000000000000000000000000001000000020000000000000000000000000000000000000000000000000000000000000000040000000020400000000000001000000040000000000000010000100000000000102000000000000000000000000000000000000000000040000000000000000000000000000002000000000000000000000000000000040000000000000000080000000000000000000000080000000000000000000000000000002000000000000000000000000000002000000000000000000000000180000000000040000000000000000000400400000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� �������€�� 2��������`������@(������@h�������@(�������h�������@h�������@(������@h�������� ����� "���ÿ���(�������(�����������h���h��� ��h���h���h�� � � ��� �����h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:40:26Z</structure-indexed-at> </compound>