<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365575</id>
  <title nil="true"/>
  <common-name>(2-amino-2-oxoethyl) (1e)-2,2-dimethyl-n-(methylcarbamoyloxy)propanimidothioate</common-name>
  <description>(2-amino-2-oxoethyl) (1e)-2,2-dimethyl-n-(methylcarbamoyloxy)propanimidothioate is a chemical compound with the formula C9H17N3O3S. It has an average molecular weight of 247.32 g/mol.</description>
  <cas>92065-91-3</cas>
  <pubchem-id>16205720</pubchem-id>
  <chemical-formula>C9H17N3O3S</chemical-formula>
  <weight>247.32</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">2026-09-01T16:15:28Z</created-at>
  <updated-at type="dateTime">2026-09-01T16:15:28Z</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>CC(C)(C)C(=NOC(=O)NC)SCC(=O)N</moldb-smiles>
  <moldb-formula>C9H17N3O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C9H17N3O3S/c1-9(2,3)7(16-5-6(10)13)12-15-8(14)11-4/h5H2,1-4H3,(H2,10,13)(H,11,14)/b12-7+</moldb-inchi>
  <moldb-inchikey>TWLAWUDTPDDWGK-KPKJPENVSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">247.0990626</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.2</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>CHEM361468</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>(2-amino-2-oxoethyl) (1e)-2,2-dimethyl-n-(methylcarbamoyloxy)propanimidothioate</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>Carboxylic acid derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315525</sync-id>
  <structure-inchikey>TWLAWUDTPDDWGK-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8080000028000008000000004000000000000000000000020000000000000000004000000000008000000001000000000000000000000000000000000000000000000000000000200000000001000000040000000000000000000100008100000000000000000000000000000000000000000010000000000000400000000000000000000000800090000000000000000080000000000000000000000000000000000000000000000200000000000000008000000000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000000a0000400000020010001000000000000000000</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">2026-09-19T06:01:38Z</structure-indexed-at>
</compound>
