93928 <common-name>Sodium hydrogen 3-[[2-[(3-sulphonatopropyl)amino]phenyl]dithio]propane-1-sulphonate</common-name> <description>Sodium hydrogen 3-[[2-[(3-sulphonatopropyl)amino]phenyl]dithio]propane-1-sulphonate belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This organic nitrogen compound has the formula C12H19NO6S4 and an average molecular weight of 423.51 g/mol.</description> <cas nil="true"/> <pubchem-id>6453901</pubchem-id> <chemical-formula>C12H19NO6S4</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">2026-04-05T02:24:57Z</created-at> <updated-at type="dateTime">2026-04-05T02:24:57Z</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>[Na+].OS(=O)(=O)CCCSSC1=CC=CC=C1NCCCS([O-])(=O)=O</moldb-smiles> <moldb-formula>C12H19NO6S4</moldb-formula> <moldb-inchi>InChI=1/C12H19NO6S4.Na/c14-22(15,16)9-3-7-13-11-5-1-2-6-12(11)21-20-8-4-10-23(17,18)19;/h1-2,5-6,13H,3-4,7-10H2,(H,14,15,16)(H,17,18,19);/q;+1/p-2</moldb-inchi> <moldb-inchikey>WSKWTLPWVPRMSM-UHFFFAOYSA-L</moldb-inchikey> <moldb-average-mass type="decimal">423.51</moldb-average-mass> <moldb-mono-mass type="decimal">401.0095213</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>CHEM089821</chemdb-id> <dsstox-id>DTXSID30208794</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00055614</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>Organic nitrogen compounds</superklass> <klass>Organonitrogen compounds</klass> <subklass>Amines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0181270</sync-id> <structure-inchikey>WSKWTLPWVPRMSM-UHFFFAOYSA-M</structure-inchikey> <structure-fingerprint>80000000080000000080010000000000000000000000000000000000000000000000000000402000000400000000000000000000000004000000000000000000000000000800008000200002000100000400000100000000000000000000001000000000000000000000010000000000000000201000000000000c000000000000000804000000000000080000002000100040080000000000000000000040000000000000000080000040280000000000000080000000000000000000000000000000000000000000000008000008000000000000200000000000000000000000000000040000000010000008000000008000000000040000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€�� �������`������� ������(�������(�������`�������`�������`������� ������ �����@(������@h�������@h�������@h�������@h�������@(�������h��������`�������`�������`������� ����� "���ÿ���(�������(������������������������������ � � �h���h�� h� �h���h��� ������������������������ h�B����� �� ������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:35:27Z</structure-indexed-at> </compound>