68660 <common-name>Benzene, 1,1'-thiobis[4-nitro-</common-name> <description>Benzene, 1,1'-thiobis[4-nitro- belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. This organosulfur compound has the chemical formula C12H8N2O4S1 and an average molecular weight of 276.27 g/mol.</description> <cas>1223-31-0</cas> <pubchem-id>14655</pubchem-id> <chemical-formula>C12H8N2O4S1</chemical-formula> <weight>276.27</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">2026-04-03T12:53:39Z</created-at> <updated-at type="dateTime">2026-08-18T21:48:52Z</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>[O-][N+](=O)C1=CC=C(SC2=CC=C(C=C2)[N+]([O-])=O)C=C1</moldb-smiles> <moldb-formula>C12H8N2O4S1</moldb-formula> <moldb-inchi>InChI=1S/C12H8N2O4S/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H</moldb-inchi> <moldb-inchikey>ZZTJMQPRKBNGNX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">276.27</moldb-average-mass> <moldb-mono-mass type="decimal">276.020477</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>13988</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>CHEM064553</chemdb-id> <dsstox-id>DTXSID9061629</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00023986</susdat-id> <iupac>1-nitro-4-(4-nitrophenyl)sulfanylbenzene</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>CED0095853</sync-id> <structure-inchikey>ZZTJMQPRKBNGNX-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000020000000000000001000000000400040000000001000000200000000000000000000000020000000000000000000000000000000000000000000000000000000000000001000000000000001000020000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000020420000000000000040000000000000000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€�� *���ÿ��� *��������(������@(������@h�������@h�������@(������� �����@(������@h�������@h�������@(������@h�������@h������� *������� *���ÿ����(������@h�������@h��������� ��(��� ��h���h���h�������� h� h� �h���h�� h��� �� ��(���h���h���h� �h�B������������ �� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:18:32Z</structure-indexed-at> </compound>