<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365213</id>
  <title nil="true"/>
  <common-name>5-ethyl-5-(ethylsulfanylmethyl)-1,3-diazinane-2,4,6-trione</common-name>
  <description>5-ethyl-5-(ethylsulfanylmethyl)-1,3-diazinane-2,4,6-trione is a chemical compound with the formula C9H14N2O3S. It has an average molecular weight of 230.29 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>52198</pubchem-id>
  <chemical-formula>C9H14N2O3S</chemical-formula>
  <weight>230.29</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">2026-09-01T15:42:18Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:42:18Z</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>CCC1(C(=O)NC(=O)NC1=O)CSCC</moldb-smiles>
  <moldb-formula>C9H14N2O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C9H14N2O3S/c1-3-9(5-15-4-2)6(12)10-8(14)11-7(9)13/h3-5H2,1-2H3,(H2,10,11,12,13,14)</moldb-inchi>
  <moldb-inchikey>SNVWRFXKKIEGGB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">230.0725135</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.6</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>CHEM361106</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>5-ethyl-5-(ethylsulfanylmethyl)-1,3-diazinane-2,4,6-trione</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>Organoheterocyclic compounds</superklass>
  <klass>Diazines</klass>
  <subklass>Pyrimidines and pyrimidine derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315170</sync-id>
  <structure-inchikey>SNVWRFXKKIEGGB-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000800000000800000000000400002000000000800000000000000002000020040000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000000004000000000000000000000000000000000000000000100000000000008004000000000000001000000000048000000000000200000000000000000000008000000000000001000000000000000000001000000080000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000002000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������(�������(�������h��������(�������(�������h��������(�������(�������`������� ������`�������`�����������������(��� �� ��(��� �	 	
(�����������	��B������	��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:21Z</structure-indexed-at>
</compound>
