287732 <common-name>5-methoxy-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-thione</common-name> <description>5-methoxy-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-thione belongs to the isocoumarans, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C13H15NO2S and an average molecular weight of 249.33 g/mol.</description> <cas>83962-39-4</cas> <pubchem-id>3068883</pubchem-id> <chemical-formula>C13H15NO2S</chemical-formula> <weight>249.33</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">2026-08-28T00:16:30Z</created-at> <updated-at type="dateTime">2026-08-28T00:16:30Z</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>CN1CCCC12C3=C(C=CC(=C3)OC)C(=S)O2</moldb-smiles> <moldb-formula>C13H15NO2S</moldb-formula> <moldb-inchi>InChI=1S/C13H15NO2S/c1-14-7-3-6-13(14)11-8-9(15-2)4-5-10(11)12(17)16-13/h4-5,8H,3,6-7H2,1-2H3</moldb-inchi> <moldb-inchikey>RLKLDWKSHCHMHZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">249.0823499</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.4</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>CHEM283625</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>5-methoxy-1'-methylspiro[2-benzofuran-3,2'-pyrrolidine]-1-thione</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>Isocoumarans</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0239509</sync-id> <structure-inchikey>RLKLDWKSHCHMHZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000040000000008000000000000000000000000000000000000000000000200000048000000000000000000000000000008000000000000000000000000000000000000000000000800000800100000200002200000000040000600000000040000000100000000000020100000000000000000000000800000048000000000000002000004000200000000000000000000000000000200400002000000000000000080000000000000000000040008000000000000080000000000000000000000000000000000000000000040000000200000000000000000000000000000040100000000000000000000008080000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`������� �����@(������@(������@h�������@h�������@(������@h��������(�������`�������(�������(�������(��������������������������h���h�� h� h� �h� � � ��� ��(��� ��������h�B������������ �������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:00:59Z</structure-indexed-at> </compound>