77276 <common-name>Benzenesulfonic acid, 2,2'-thiobis[5-nitro-</common-name> <description>Benzenesulfonic acid, 2,2'-thiobis[5-nitro- belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. This organosulfur compound has the formula C12H8N2O10S3 and an average molecular weight of 436.38 g/mol.</description> <cas>63216-88-6</cas> <pubchem-id>113127</pubchem-id> <chemical-formula>C12H8N2O10S3</chemical-formula> <weight>436.4</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">2026-04-04T08:58:32Z</created-at> <updated-at type="dateTime">2026-08-27T22:26:38Z</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>OS(=O)(=O)C1=C(SC2=C(C=C(C=C2)[N+]([O-])=O)S(O)(=O)=O)C=CC(=C1)[N+]([O-])=O</moldb-smiles> <moldb-formula>C12H8N2O10S3</moldb-formula> <moldb-inchi>InChI=1S/C12H8N2O10S3/c15-13(16)7-1-3-9(11(5-7)26(19,20)21)25-10-4-2-8(14(17)18)6-12(10)27(22,23)24/h1-6H,(H,19,20,21)(H,22,23,24)</moldb-inchi> <moldb-inchikey>LVUFXZAHTLUDST-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">436.38</moldb-average-mass> <moldb-mono-mass type="decimal">435.934107</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>101394</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>CHEM073169</chemdb-id> <dsstox-id>DTXSID4069769</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00035374</susdat-id> <iupac>5-nitro-2-(4-nitro-2-sulfophenyl)sulfanylbenzenesulfonic 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>CED0175422</sync-id> <structure-inchikey>LVUFXZAHTLUDST-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000000000000020000000000800000000000000000000000000000000000000080000000008000000020000020000000000000001000000000400000000000010000000a00000000100800000000000000000000000000000000004040000000000000000000000000000000000000001000000000000000000020100000000000000000000000080000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000200000000000000420000000000000040000000000000000800001000080000000000400000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������(�������(������@(������@(������� �����@(������@(������@h�������@(������@h�������@h������� *������� *���ÿ����(������� ������`�������(�������(������@h�������@h�������@(������@h������� *������� *���ÿ����(����������������������h���������h�� h� h� �h���h� � �(�����������������h���h���h���h��� �� ��(���h���h�B������������� �������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:25:01Z</structure-indexed-at> </compound>