87070 <common-name>Bismuth tris[12-(butylthio)dodecanoate]</common-name> <description>Bismuth tris[12-(butylthio)dodecanoate] belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. It is classified as a lipid and lipid-like molecule with the formula C16H32O2S. With an average molecular weight of 1,071 g/mol, Bismuth tris[12-(butylthio)dodecanoate] is a heavy molecule.</description> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C16H32O2S</chemical-formula> <weight nil="true"/> <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">2026-04-04T22:02:50Z</created-at> <updated-at type="dateTime">2026-04-04T22:02:50Z</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>[Bi+3].CCCCSCCCCCCCCCCCC([O-])=O.CCCCSCCCCCCCCCCCC([O-])=O.CCCCSCCCCCCCCCCCC([O-])=O</moldb-smiles> <moldb-formula>C16H32O2S</moldb-formula> <moldb-inchi>InChI=1/3C16H32O2S.Bi.3H/c3*1-2-3-14-19-15-12-10-8-6-4-5-7-9-11-13-16(17)18;;;;/h3*2-15H2,1H3,(H,17,18);;;;/q;;;+3;;;/p-3/r3C16H32O2S.BiH3/c3*1-2-3-14-19-15-12-10-8-6-4-5-7-9-11-13-16(17)18;/h3*2-15H2,1H3,(H,17,18);1H3/q;;;+3/p-3</moldb-inchi> <moldb-inchikey>YPQUPRMTHACGAX-UHFFFAOYSA-K</moldb-inchikey> <moldb-average-mass type="decimal">1071.43</moldb-average-mass> <moldb-mono-mass type="decimal">288.2123013</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>CHEM082963</chemdb-id> <dsstox-id>DTXSID10984387</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00047559</susdat-id> <iupac nil="true"/> <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">0</paper-count> <sync-id>CED0085554</sync-id> <structure-inchikey>XFYCYBONVVUUOO-UHFFFAOYSA-K</structure-inchikey> <structure-fingerprint>20000000000000800000000800000000000000000000002000000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000010000000000000020000000000000001000010000000000004020010000000000000000000000000000000000004008000000000000000000000040000000000000000000010000000002000000000020000000001000000000000000000000000000000000000000000000000000000000000000000000000008000000000000000000000000000000000000000040000000000000000000000000020000000000000000010400000000000000000200000000000000</structure-fingerprint> 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