287049 <common-name>(2,5-dimethylfuran-3-yl)-phenylmethanethione</common-name> <description>(2,5-dimethylfuran-3-yl)-phenylmethanethione belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has the formula C13H12OS and an average molecular weight of 216.30 g/mol.</description> <cas>101833-03-8</cas> <pubchem-id>59034</pubchem-id> <chemical-formula>C13H12OS</chemical-formula> <weight>216.3</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">2026-08-27T23:23:04Z</created-at> <updated-at type="dateTime">2026-08-27T23:23:04Z</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(=C(O1)C)C(=S)C2=CC=CC=C2</moldb-smiles> <moldb-formula>C13H12OS</moldb-formula> <moldb-inchi>InChI=1S/C13H12OS/c1-9-8-12(10(2)14-9)13(15)11-6-4-3-5-7-11/h3-8H,1-2H3</moldb-inchi> <moldb-inchikey>HYRKYWHJLYBLDK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">216.0608862</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.7</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>CHEM282942</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>(2,5-dimethylfuran-3-yl)-phenylmethanethione</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0238835</sync-id> <structure-inchikey>HYRKYWHJLYBLDK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000000000000000040020000000000000000000000000000000000000000000000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000000800000000000000000000000000000000000010000001000000002100000080000000000000000000004000000000000000040000000800400000000000000000000000100000000000000000000000000000000000000200000084000000000000000000000000000000000000000000000000000000800000028000000000000000000002000020200000000000000000000000000000040000000000000000000000000004100000000000000</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�B����������� �� � ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:00:31Z</structure-indexed-at> </compound>