75944 <common-name>5-Amino-o-xylene-4-sulphonic acid</common-name> <description>5-Amino-o-xylene-4-sulphonic acid belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C8H11N1O3S1 and an average molecular weight of 201.24 g/mol.</description> <cas>56375-83-8</cas> <pubchem-id>91823</pubchem-id> <chemical-formula>C8H11N1O3S1</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">2026-04-04T05:36:18Z</created-at> <updated-at type="dateTime">2026-04-04T05:36:18Z</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(N)=C(C=C1C)S(O)(=O)=O</moldb-smiles> <moldb-formula>C8H11N1O3S1</moldb-formula> <moldb-inchi>InChI=1S/C8H11NO3S/c1-5-3-7(9)8(4-6(5)2)13(10,11)12/h3-4H,9H2,1-2H3,(H,10,11,12)</moldb-inchi> <moldb-inchikey>XROQUIUUGKYCQN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">201.24</moldb-average-mass> <moldb-mono-mass type="decimal">201.045964</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>82919</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>CHEM071837</chemdb-id> <dsstox-id>DTXSID40204929</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00033512</susdat-id> <iupac>2-amino-4,5-dimethylbenzenesulfonic 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>Benzenesulfonic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0150904</sync-id> <structure-inchikey>XROQUIUUGKYCQN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000800000000000000000000000000000000000000000000000008000000020000020000000000000000000000000000000000000010000000800000000100000000200000000000000000000000000000000000040000000000000000000000000001000000010001000000000000040200000000000000000000000080100000000000000004000080000000000000000000000000000000000000000000000000000000000002000000000000000080000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� ��� ���€���`������@(������@h�������@(�������h�������@(������@h�������@(�������`������� ������`�������(�������(�����������h���h��� ��h���h���h����� � � ��� �����h�B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:24:06Z</structure-indexed-at> </compound>