<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">282576</id>
  <title nil="true"/>
  <common-name>[4-(diethylamino)-3,3-dimethylbutyl]carbamodithioic acid</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3048849</pubchem-id>
  <chemical-formula>C11H24N2S2</chemical-formula>
  <weight>248.5</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">2026-08-27T18:04:05Z</created-at>
  <updated-at type="dateTime">2026-08-27T18:04:05Z</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>CCN(CC)CC(C)(C)CCNC(=S)S</moldb-smiles>
  <moldb-formula>C11H24N2S2</moldb-formula>
  <moldb-inchi>InChI=1S/C11H24N2S2/c1-5-13(6-2)9-11(3,4)7-8-12-10(14)15/h5-9H2,1-4H3,(H2,12,14,15)</moldb-inchi>
  <moldb-inchikey>SJYIDMPOCHLRGM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">248.1380911</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3</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>CHEM278469</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>[4-(diethylamino)-3,3-dimethylbutyl]carbamodithioic acid</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 nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>Amines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0234516</sync-id>
  <structure-inchikey>SJYIDMPOCHLRGM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800040022000000000000000000004000000040000100000000002000000000000000000000000800000000000000000000000000000000000000400000000100000001000000000001000000000002000000000000002000000010000000000000000004000000000000800000000000000000000000000000040000000000000000000000080000000000000000000000000004000000000080000020000000000000000000000000000000000000000000000000000000000000001000200000000000000000000000000000000000000000004000000000400000000000000000000000000000000000000040000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`�������`�������`������� ������`�������`�������`�������`�������h��������(�������(�������`�������������������������������	�	
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���� �(����B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:57:20Z</structure-indexed-at>
</compound>
