68939 <common-name>Benzoic acid, (2-carboxymethylthio)-</common-name> <description>Benzoic acid, (2-carboxymethylthio)- is an organic compound with the formula C9H8O4S1 and an average molecular weight of 212.22 g/mol. Benzoic acid, (2-carboxymethylthio)- belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid. This compound has been identified in or released from one recorded source, specifically electrical and electronic equipment electrodes.</description> <cas>135-13-7</cas> <pubchem-id>8660</pubchem-id> <chemical-formula>C9H8O4S1</chemical-formula> <weight>212.22</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">2026-04-03T14:10:19Z</created-at> <updated-at type="dateTime">2026-08-25T22:17:46Z</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>OC(=O)CSC1=CC=CC=C1C(O)=O</moldb-smiles> <moldb-formula>C9H8O4S1</moldb-formula> <moldb-inchi>InChI=1S/C9H8O4S/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)</moldb-inchi> <moldb-inchikey>GMBZSYUPMWCDGK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">212.22</moldb-average-mass> <moldb-mono-mass type="decimal">212.014329</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.6</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>8338</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>CHEM064832</chemdb-id> <dsstox-id>DTXSID90159192</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00024377</susdat-id> <iupac>2-(carboxymethylsulfanyl)benzoic 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>Benzoic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0106751</sync-id> <structure-inchikey>GMBZSYUPMWCDGK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000800000000000000000000000000000000000000000000000000000004000000004004000000000000000080000000000000000000000400000000000000000000000020000000000000000000000000000000000000010000002000000080000000000000000000000000000000000000004000010000000000800000000000000000000000000100000000000000000000000000000000000000000000080000000008000001000000000000000000000000000000000000000000000000000000000000000002000000400200000000000000000000000000000040000000000400000000010000000100000000000000</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�B������ �������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:18:48Z</structure-indexed-at> </compound>