<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">92042</id>
  <title nil="true"/>
  <common-name>4,4-Dimethyl-9-oxo-8-oxa-3,5-dithia-4-stannaundecyl propionate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>9576330</pubchem-id>
  <chemical-formula>C12H24O4S2Sn</chemical-formula>
  <weight>415.2</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">2026-04-05T01:11:10Z</created-at>
  <updated-at type="dateTime">2026-08-26T16:57:26Z</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>CCC(=O)OCCS[Sn](C)(C)SCCOC(=O)CC</moldb-smiles>
  <moldb-formula>C12H24O4S2Sn</moldb-formula>
  <moldb-inchi>InChI=1/2C5H10O2S.2CH3.Sn/c2*1-2-5(6)7-3-4-8;;;/h2*8H,2-4H2,1H3;2*1H3;/q;;;;+2/p-2/rC12H24O4S2Sn/c1-5-11(13)15-7-9-17-19(3,4)18-10-8-16-12(14)6-2/h5-10H2,1-4H3</moldb-inchi>
  <moldb-inchikey>VEQLFJGAGYWYIR-UHFFFAOYSA-L</moldb-inchikey>
  <moldb-average-mass type="decimal">415.15</moldb-average-mass>
  <moldb-mono-mass type="decimal">416.0137959</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>CHEM087935</chemdb-id>
  <dsstox-id>DTXSID90887024</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00053403</susdat-id>
  <iupac>2-[dimethyl(2-propanoyloxyethylsulfanyl)stannyl]sulfanylethyl propanoate</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>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Dicarboxylic acids and derivatives</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0136673</sync-id>
</compound>
