<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365720</id>
  <title nil="true"/>
  <common-name>N-carbamothioyloctanamide</common-name>
  <description>N-carbamothioyloctanamide is a chemical compound with the formula C9H18N2OS. It has an average molecular weight of 202.32 g/mol.</description>
  <cas>42113-92-8</cas>
  <pubchem-id>3039061</pubchem-id>
  <chemical-formula>C9H18N2OS</chemical-formula>
  <weight>202.32</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">2026-09-01T16:29:33Z</created-at>
  <updated-at type="dateTime">2026-09-01T16:29:33Z</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>CCCCCCCC(=O)NC(=S)N</moldb-smiles>
  <moldb-formula>C9H18N2OS</moldb-formula>
  <moldb-inchi>InChI=1S/C9H18N2OS/c1-2-3-4-5-6-7-8(12)11-9(10)13/h2-7H2,1H3,(H3,10,11,12,13)</moldb-inchi>
  <moldb-inchikey>DXZVIWFRNGADRH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">202.1139844</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.9</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>CHEM361613</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>N-carbamothioyloctanamide</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>Lipids and lipid-like molecules</superklass>
  <klass>Fatty Acyls</klass>
  <subklass>Fatty amides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315668</sync-id>
  <structure-inchikey>DXZVIWFRNGADRH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000800040020000000800000000000000000000000000000000000002000000000000000000000200000000000000000000000000000000000000000000000000010000000000000020000000000000000000000000000000000020010000000000000000000000000000000004000000000000000000000000000040000000000000010000010080001000000000000000000000001000000000000000000000000000000000000000000008000000000000000000000000000008000000000000000000000000000000000000020000000000000000000000000000000000000000800000010400000000000000000080000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>204000000000000002000000000000005800000208040000000044000004000800000000001000000000004200000800410000200443000a0000084110000000000000080100000420000000000004000000200000420000008000c2180000000020000000000500000002000801001004004311802000010000200400010044000000800000008080000100400024440000000000800000000024043000000004000000009082424201002c0000000010800000000000000020000008004040000000080000400000200000000000000400000000000080000000000080000000000000000004000200000000010004000000000008050010006</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�����������������������€���`�������`�������`�������`�������`�������`�������`�������(�������(�������h��������(�������(�������h������������������������������(��	 	
 
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  <structure-indexed-at type="dateTime">2026-09-19T06:01:45Z</structure-indexed-at>
</compound>
