327479 <common-name>9-(hexylsulfanylmethyl)anthracene</common-name> <description>9-(hexylsulfanylmethyl)anthracene is a chemical compound with the formula C21H24S. It has an average molecular weight of 308.50 g/mol.</description> <cas>51513-56-5</cas> <pubchem-id>3277315</pubchem-id> <chemical-formula>C21H24S</chemical-formula> <weight>308.5</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">2026-08-30T06:37:11Z</created-at> <updated-at type="dateTime">2026-08-30T06:37:11Z</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>CCCCCCSCC1=C2C=CC=CC2=CC3=CC=CC=C31</moldb-smiles> <moldb-formula>C21H24S</moldb-formula> <moldb-inchi>InChI=1S/C21H24S/c1-2-3-4-9-14-22-16-21-19-12-7-5-10-17(19)15-18-11-6-8-13-20(18)21/h5-8,10-13,15H,2-4,9,14,16H2,1H3</moldb-inchi> <moldb-inchikey>HWLBSIJIEUYHGZ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">308.1598719</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.2</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>CHEM323372</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>9-(hexylsulfanylmethyl)anthracene</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>Anthracenes</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0278086</sync-id> <structure-inchikey>HWLBSIJIEUYHGZ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000800000000000000000000002000000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000000000002000000020000000000800000000100000000000000000006000000000000000000000000040000001800000000000010000000002000100000000000000000000000000000000000080040000080000000000000008000000000000000000000000000000040000000000010000000000000000000000000000000200000000000000000000010001000040000000010000000000000002000200000000002000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAWAAAAGAAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICEAAgAAAAAgYAYAAA AAICBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMD AQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEG QGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAsAAQABAgACAwAD BAAEBQAFBgAGBwAHCAAICWgMCQpoDAoLaAwLDGgMDA1oDA0OaAwOD2gMDxBo DBARaAwREmgMEhNoDBMUaAwUFWgMFQhoDA4JaAwVEGgMQgMAAAAGCBUQDw4J BgoLDA0OCQYREhMUFRAXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:30:49Z</structure-indexed-at> </compound>