<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365588</id>
  <title nil="true"/>
  <common-name>2-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propan-1-ol</common-name>
  <description>2-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propan-1-ol is a compound with the formula C9H17N5OS. It has an average molecular weight of 243.33 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>165362571</pubchem-id>
  <chemical-formula>C9H17N5OS</chemical-formula>
  <weight>243.33</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">2026-09-01T16:16:52Z</created-at>
  <updated-at type="dateTime">2026-09-01T16:16:52Z</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>CCNC1=NC(=NC(=N1)SC)NC(C)CO</moldb-smiles>
  <moldb-formula>C9H17N5OS</moldb-formula>
  <moldb-inchi>InChI=1S/C9H17N5OS/c1-4-10-7-12-8(11-6(2)5-15)14-9(13-7)16-3/h6,15H,4-5H2,1-3H3,(H2,10,11,12,13,14)</moldb-inchi>
  <moldb-inchikey>RGQYWYNUWYQFOQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">243.1153814</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.9</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>CHEM361481</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-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propan-1-ol</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>Triazines</klass>
  <subklass>1,3,5-triazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315537</sync-id>
  <structure-inchikey>RGQYWYNUWYQFOQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800004002800000000000000000000000002000000000000001002000000000000000000002000200000000000000000000020000000000000000000000000000000000000000000000000002000000000000000000000000004010000000000000000000000000000000000000000000000000000000000000040000002000000000000000080000000800000000000000000000000000000000000008000020000080000000080000000000000000000000000000000000000000200000000000000000000000000000000001200008000000000000000000000000001000000000000000000000000004400000000000220400000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������h�������@(������@(������@(������@(������@(������@(������� ������`�������h��������`�������`�������`�������`�������������� ��h���h���h���h���h��	�	
��� �������������h�B���������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:38Z</structure-indexed-at>
</compound>
