<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365221</id>
  <title nil="true"/>
  <common-name>3-prop-2-enyl-5-propyl-2-sulfanylideneimidazolidin-4-one</common-name>
  <description>3-prop-2-enyl-5-propyl-2-sulfanylideneimidazolidin-4-one is a chemical compound with the formula C9H14N2OS. It has an average molecular weight of 198.29 g/mol.</description>
  <cas>2176-92-3</cas>
  <pubchem-id>3037984</pubchem-id>
  <chemical-formula>C9H14N2OS</chemical-formula>
  <weight>198.29</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">2026-09-01T15:42:55Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:42:55Z</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>CCCC1C(=O)N(C(=S)N1)CC=C</moldb-smiles>
  <moldb-formula>C9H14N2OS</moldb-formula>
  <moldb-inchi>InChI=1S/C9H14N2OS/c1-3-5-7-8(12)11(6-4-2)9(13)10-7/h4,7H,2-3,5-6H2,1H3,(H,10,13)</moldb-inchi>
  <moldb-inchikey>QHRHHWLAZDPQDT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">198.0826843</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.7</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>CHEM361114</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>3-prop-2-enyl-5-propyl-2-sulfanylideneimidazolidin-4-one</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>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315178</sync-id>
  <structure-inchikey>QHRHHWLAZDPQDT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000004000800040001000000000000000000000000000000000000000000002240020000000000000000000020000000000000000000000000000000000000000000000080000000000000020000000000200000000000000000000000820000000008000000000000000000000000108000000000000000000100000000040000000000000208000000000000000000000000000000000000000000000000000000010000200080000000000000000000000000000010000000000000000000000000000000000040000000000000000040400000000000000000000000800000001000000000000000000000000000002000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������������€���`�������`�������`�������`�������(�������(�������(�������(�������(�������h��������`�������h��������h���������������������(��� �� ��(��	 �
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������	��B���������	����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:21Z</structure-indexed-at>
</compound>
