282684 <common-name>2-(1,3-dioxo-4,7-epoxyisoindol-2-yl)ethyl thiocyanate</common-name> <description>2-(1,3-dioxo-4,7-epoxyisoindol-2-yl)ethyl thiocyanate is a compound with the formula C11H6N2O3S. It has an average molecular weight of 246.24 g/mol.</description> <cas>102367-29-3</cas> <pubchem-id>3025258</pubchem-id> <chemical-formula>C11H6N2O3S</chemical-formula> <weight>246.24</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">2026-08-27T18:12:08Z</created-at> <updated-at type="dateTime">2026-08-27T18:12:08Z</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>C1=CC2=C3C(=C1O2)C(=O)N(C3=O)CCSC#N</moldb-smiles> <moldb-formula>C11H6N2O3S</moldb-formula> <moldb-inchi>InChI=1S/C11H6N2O3S/c12-5-17-4-3-13-10(14)8-6-1-2-7(16-6)9(8)11(13)15/h1-2H,3-4H2</moldb-inchi> <moldb-inchikey>KIBMFAFKVSJJBU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">246.0099132</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.4</logp> <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>CHEM278577</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-(1,3-dioxo-4,7-epoxyisoindol-2-yl)ethyl thiocyanate</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 nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0234623</sync-id> <structure-inchikey>KIBMFAFKVSJJBU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000800000000000000000000000000000000000000000000000020000000000000100000000000000000000000000000000000800000000000000000080000000080000020800020000000020000000000000000000200000000000000000000030000000000000100000000000000000000000000010000000000080000000008004000000002000000000000000400000000000000000000000000000000088000000000000000000000000000000000000000000000000000004800000000000000000000000000000000001200000000000000a00000000000000040000000000000000000000000000000080000000000</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� � B�������������������� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:57:26Z</structure-indexed-at> </compound>