282110 <common-name>8-(3h-dithiol-3-yl)octanoic acid</common-name> <description>8-(3h-dithiol-3-yl)octanoic acid belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. This lipid-like molecule has the formula C11H18O2S2 and an average molecular weight of 246.40 g/mol.</description> <cas nil="true"/> <pubchem-id>129713215</pubchem-id> <chemical-formula>C11H18O2S2</chemical-formula> <weight>246.4</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">2026-08-27T17:34:37Z</created-at> <updated-at type="dateTime">2026-08-27T17:34:37Z</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>C1=CSSC1CCCCCCCC(=O)O</moldb-smiles> <moldb-formula>C11H18O2S2</moldb-formula> <moldb-inchi>InChI=1S/C11H18O2S2/c12-11(13)7-5-3-1-2-4-6-10-8-9-14-15-10/h8-10H,1-7H2,(H,12,13)</moldb-inchi> <moldb-inchikey>NQDZURVPVBKEPB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">246.0748222</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.1</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>CHEM278003</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>8-(3h-dithiol-3-yl)octanoic acid</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>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acids and conjugates</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0234058</sync-id> <structure-inchikey>NQDZURVPVBKEPB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>c00000000000000000000000000000000000200000000000000000000000000200000000000004000000000000000000000000000000000000000000000000000000000000000020000010000000000000000000000000000000010000008000000000000000000000000000000000000000000080100000000000000010000002000040010000000000000000000000000000001080010000000000000000000000000000000000000000000080000000000000000000008008000000000000000000000400000000000000000000400000000000000000000000000000000040000000210400001000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>20c00206000802000001002000000000000005000000200040020000044002000000800000040001000000000804200080000c10010000443000a0000084110000001000000080102000420100000000004001001240488420000009000c300000000002002000004044200000200080100004e004110840200010040200440001844000080c0000048c080008113400024440000200044800000042244041000000004000000008400024201002c00000080108000808000000400200000000040400000000800000000002000000000000004020000000040800100000000e0000000000000004800000200000900010004000080000000050000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADwAAAIABBgBoAAAAAwMBBgBoAAAA AwMBEAAgAAAAAhAAIAAAAAIGAGAAAAADAQYAYAAAAAICBgBgAAAAAgIGAGAA AAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgAoAAAAAwQI ACgAAAADAggAaAAAAAMBAQsAAQgCAQIAAgMAAwQABAUABQYABgcABwgACAkA CQoACgsACwwADA0oAgwOIAQAAEIBAAAABQABAgMEFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:56:59Z</structure-indexed-at> </compound>