278534 <common-name>3-(4-methylphenyl)sulfanylpropane-1,2-dithiol</common-name> <description>3-(4-methylphenyl)sulfanylpropane-1,2-dithiol belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. This organosulfur compound has the formula C10H14S3 and an average molecular weight of 230.40 g/mol.</description> <cas>27292-46-2</cas> <pubchem-id>168679</pubchem-id> <chemical-formula>C10H14S3</chemical-formula> <weight>230.4</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">2026-08-26T18:27:16Z</created-at> <updated-at type="dateTime">2026-08-26T18:27:16Z</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(C=C1)SCC(CS)S</moldb-smiles> <moldb-formula>C10H14S3</moldb-formula> <moldb-inchi>InChI=1S/C10H14S3/c1-8-2-4-10(5-3-8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3</moldb-inchi> <moldb-inchikey>NAFZRYXFRRBHPD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">230.025764</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.4</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>CHEM274427</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>3-(4-methylphenyl)sulfanylpropane-1,2-dithiol</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>Organosulfur compounds</superklass> <klass>Thioethers</klass> <subklass>Aryl thioethers</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0230626</sync-id> <structure-inchikey>NAFZRYXFRRBHPD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000800000000000000000000000000041000000000000000000000400004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000001000000000080000000000000000000000020000000000000000000000000040000000040000000008000000000000000000000010000001000000000000000000000000000000080000000000000000001200000000000000000000000000000000000000000000000008000000000000002000000200000000800000000100000000000040000000000080000000000000000000000000000000</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">2026-09-19T04:54:02Z</structure-indexed-at> </compound>