<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">362086</id>
  <title nil="true"/>
  <common-name>2-[bis(dimethylamino)phosphinothioyl]-5-methyl-1,2,4-triazol-3-amine</common-name>
  <description>2-[bis(dimethylamino)phosphinothioyl]-5-methyl-1,2,4-triazol-3-amine is a chemical compound with the formula C7H17N6PS. It has an average molecular weight of 248.29 g/mol.</description>
  <cas>78218-65-2</cas>
  <pubchem-id>3060558</pubchem-id>
  <chemical-formula>C7H17N6PS</chemical-formula>
  <weight>248.29</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">2026-09-01T11:10:54Z</created-at>
  <updated-at type="dateTime">2026-09-01T11:10:54Z</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>CC1=NN(C(=N1)N)P(=S)(N(C)C)N(C)C</moldb-smiles>
  <moldb-formula>C7H17N6PS</moldb-formula>
  <moldb-inchi>InChI=1S/C7H17N6PS/c1-6-9-7(8)13(10-6)14(15,11(2)3)12(4)5/h1-5H3,(H2,8,9,10)</moldb-inchi>
  <moldb-inchikey>YGYWOCUHDPKAAD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">248.0973027</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>CHEM357979</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-[bis(dimethylamino)phosphinothioyl]-5-methyl-1,2,4-triazol-3-amine</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>Azoles</klass>
  <subklass>Triazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0312183</sync-id>
  <structure-inchikey>YGYWOCUHDPKAAD-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000000080000000000000000100000000000000000000000000002000000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000004000000000000100000008000000000000000000000040000000000000000a00000000101000000000000000000000000000000000000000000000000000080000020000000000004000000000000000000000000000010000000000200000000000000000000000102040000000000000000200000000010001000000000000000000000002080000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@(������@(������@(�������h�������� ������(������� ������`�������`������� ������`�������`�����������h���h���h���h��� ��������	�	
�	������������h�B��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:59:14Z</structure-indexed-at>
</compound>
