119756 <common-name>2,8-Dimethyldibenzo(b,d)thiophene</common-name> <description nil="true"/> <cas>1207-15-4</cas> <pubchem-id>50959</pubchem-id> <chemical-formula>C14H12S</chemical-formula> <weight>212.31</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">2026-04-06T02:51:04Z</created-at> <updated-at type="dateTime">2026-04-16T22:27:48Z</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>CC1=CC=C2SC3=CC=C(C)C=C3C2=C1</moldb-smiles> <moldb-formula>C14H12S</moldb-formula> <moldb-inchi>InChI=1S/C14H12S/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13/h3-8H,1-2H3</moldb-inchi> <moldb-inchikey>RRYWCJRYULRSJM-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">212.31</moldb-average-mass> <moldb-mono-mass type="decimal">212.0659714</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM115649</chemdb-id> <dsstox-id>DTXSID80880786</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00095848</susdat-id> <iupac>2,8-Dimethyldibenzo[b,d]thiophene</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>Benzothiophenes</klass> <subklass>Dibenzothiophenes</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0068276</sync-id> <structure-inchikey>RRYWCJRYULRSJM-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000001000000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000000000000000000100400000000000000000000000000000004000000000040000000000000000000000000000004000000000000000000000000000000000000000000042000080000000000000000000000000000000000000000000000000000000000000000000000008000000000002000008200000000000000000100000000000040000000000000000000000000000000000000000000</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� � �h���h�� h� �h���h� �h���h�B������� ������ ����� �������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:44:26Z</structure-indexed-at> </compound>