81083 <common-name>Bisisopropyl 2-thioxo-1H-benzimidazole-1,3(2H)-dicarboxylate</common-name> <description>Bisisopropyl 2-thioxo-1H-benzimidazole-1,3(2H)-dicarboxylate belongs to the benzimidazoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the formula C15H18N2O4S1 and an average molecular weight of 322.38 g/mol.</description> <cas>94158-31-3</cas> <pubchem-id>3023807</pubchem-id> <chemical-formula>C15H18N2O4S1</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">2026-04-04T17:08:36Z</created-at> <updated-at type="dateTime">2026-04-04T17:08:36Z</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>CC(C)OC(=O)N1C(=S)N(C(=O)OC(C)C)C2=CC=CC=C12</moldb-smiles> <moldb-formula>C15H18N2O4S1</moldb-formula> <moldb-inchi>InChI=1S/C15H18N2O4S/c1-9(2)20-14(18)16-11-7-5-6-8-12(11)17(13(16)22)15(19)21-10(3)4/h5-10H,1-4H3</moldb-inchi> <moldb-inchikey>AZJYAGGEGMHNBK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">322.38</moldb-average-mass> <moldb-mono-mass type="decimal">322.098728</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>21166961</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>CHEM076976</chemdb-id> <dsstox-id>DTXSID60240829</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00040173</susdat-id> <iupac>dipropan-2-yl 2-sulfanylidenebenzimidazole-1,3-dicarboxylate</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>Organoheterocyclic compounds</superklass> <klass>Benzimidazoles</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0159960</sync-id> <structure-inchikey>AZJYAGGEGMHNBK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000400000400000040000000000000000000000000000000000000000000001000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000020000000000100000000000000000000000000010000000000020000000000000000000100000000000000000000000000000040400000800000000000000000000000000100000000000000000000240000000000000000000000080000000000000000000000020000000000000000000000000000000200000000000000000000000000044000000200080000000001000000000000000040000000000400000000000000200000000000000000</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���h���h�B������� �������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:27:50Z</structure-indexed-at> </compound>