46345 <common-name>benzidine-2,2'-disulphonic acid</common-name> <description nil="true"/> <cas>117-61-3</cas> <pubchem-id>8337</pubchem-id> <chemical-formula>C12H12N2O6S2</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">2016-06-03T12:58:30Z</created-at> <updated-at type="dateTime">2026-03-26T20:19:04Z</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>NC1=CC(=C(C=C1)C1=C(C=C(N)C=C1)S(O)(=O)=O)S(O)(=O)=O</moldb-smiles> <moldb-formula>C12H12N2O6S2</moldb-formula> <moldb-inchi>InChI=1S/C12H12N2O6S2/c13-7-1-3-9(11(5-7)21(15,16)17)10-4-2-8(14)6-12(10)22(18,19)20/h1-6H,13-14H2,(H,15,16,17)(H,18,19,20)</moldb-inchi> <moldb-inchikey>MBJAPGAZEWPEFB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">344.36</moldb-average-mass> <moldb-mono-mass type="decimal">344.013678462</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>8034</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>CHEM045240</chemdb-id> <dsstox-id>DTXSID3024572</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00007643</stoff-ident-id> <susdat-id>NS00002417</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>160.78</moldb-polar-surface-area> <moldb-refractivity>81.83999999999999</moldb-refractivity> <moldb-polarizability>30.856828275126368</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>8</moldb-acceptor-count> <moldb-donor-count>4</moldb-donor-count> <moldb-pka-strongest-acidic>-3.7756707161871175</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>3.466869191181594</moldb-pka-strongest-basic> <moldb-physiological-charge>-2</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>-2.04</moldb-alogps-logp> <moldb-alogps-logs>-2.84</moldb-alogps-logs> <moldb-alogps-solubility>4.95e-01 g/l</moldb-alogps-solubility> </compound>