<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">19158</id>
  <title nil="true"/>
  <common-name>Sodium O-ethyl carbonodithioate</common-name>
  <description nil="true"/>
  <cas>140-90-9</cas>
  <pubchem-id>23690437</pubchem-id>
  <chemical-formula>C3H5NaOS2</chemical-formula>
  <weight>144.2</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">2016-05-22T04:53:58Z</created-at>
  <updated-at type="dateTime">2026-04-16T22:52:31Z</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>[Na+].CCOC([S-])=S</moldb-smiles>
  <moldb-formula>C3H5NaOS2</moldb-formula>
  <moldb-inchi>InChI=1S/C3H6OS2.Na/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1</moldb-inchi>
  <moldb-inchikey>RZFBEFUNINJXRQ-UHFFFAOYSA-M</moldb-inchikey>
  <moldb-average-mass type="decimal">144.18</moldb-average-mass>
  <moldb-mono-mass type="decimal">143.96795141</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>CHEM018053</chemdb-id>
  <dsstox-id>DTXSID1044801</dsstox-id>
  <toxcast-id>44801</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00077198</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>9.23</moldb-polar-surface-area>
  <moldb-refractivity>34.1628</moldb-refractivity>
  <moldb-polarizability>11.944135490792764</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>0</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic>1.1412719136212965</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge>-1</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>1.25</moldb-alogps-logp>
  <moldb-alogps-logs>-1.76</moldb-alogps-logs>
  <moldb-alogps-solubility>2.52e+00 g/l</moldb-alogps-solubility>
</compound>
