<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365369</id>
  <title nil="true"/>
  <common-name>4-[2-[bis(dithiocarboxy)amino]ethyl]piperazine-1-carbodithioic acid</common-name>
  <description>4-[2-[bis(dithiocarboxy)amino]ethyl]piperazine-1-carbodithioic acid is a compound with the formula C9H15N3S6. It has an average molecular weight of 357.60 g/mol.</description>
  <cas>765860-54-6</cas>
  <pubchem-id>73557119</pubchem-id>
  <chemical-formula>C9H15N3S6</chemical-formula>
  <weight>357.6</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">2026-09-01T15:55:14Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:55:14Z</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>C1CN(CCN1CCN(C(=S)S)C(=S)S)C(=S)S</moldb-smiles>
  <moldb-formula>C9H15N3S6</moldb-formula>
  <moldb-inchi>InChI=1S/C9H15N3S6/c13-7(14)11-4-1-10(2-5-11)3-6-12(8(15)16)9(17)18/h1-6H2,(H,13,14)(H,15,16)(H,17,18)</moldb-inchi>
  <moldb-inchikey>UFBBGOOICHPFEX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">356.9590245</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.4</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>CHEM361262</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-[2-[bis(dithiocarboxy)amino]ethyl]piperazine-1-carbodithioic 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>Organoheterocyclic compounds</superklass>
  <klass>Diazinanes</klass>
  <subklass>Piperazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315325</sync-id>
  <structure-inchikey>UFBBGOOICHPFEX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>1000000000000202080004002000000000000000000000000000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000001000000000000020000400020000002015000000000000000000000000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000000000a000000000000000000000000004000000000000008004000000000000000000000000000000010000000000000000000000000000000000000001000000000000004000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:27Z</structure-indexed-at>
</compound>
