<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365409</id>
  <title nil="true"/>
  <common-name>(2r)-4-but-3-ynyl-2-methylthiomorpholine</common-name>
  <description>(2r)-4-but-3-ynyl-2-methylthiomorpholine is a chemical compound with the formula C9H15NS. It has an average molecular weight of 169.29 g/mol.</description>
  <cas>2361610-11-7</cas>
  <pubchem-id>139026731</pubchem-id>
  <chemical-formula>C9H15NS</chemical-formula>
  <weight>169.29</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">2026-09-01T15:58:25Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:58:25Z</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>CC1CN(CCS1)CCC#C</moldb-smiles>
  <moldb-formula>C9H15NS</moldb-formula>
  <moldb-inchi>InChI=1S/C9H15NS/c1-3-4-5-10-6-7-11-9(2)8-10/h1,9H,4-8H2,2H3/t9-/m1/s1</moldb-inchi>
  <moldb-inchikey>DZNKJGZZGXOSLC-SECBINFHSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">169.0925207</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>CHEM361302</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>(2r)-4-but-3-ynyl-2-methylthiomorpholine</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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315363</sync-id>
  <structure-inchikey>DZNKJGZZGXOSLC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000400000000000000000000000000008000000000000000010000000000004000000000000080000000000000000000200000000000000000000000000000030000000000000001000000000000400000000000000000004000000000010020100000000020000020000100000000040000000000000010000004000000000020000000000000000000000000400040000000000001000000000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000000010000000000000000000000000000000000000000001000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`������� ������`�������`������� ������`�������`�������(�������h��������������������������������	�	
�����B���������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:29Z</structure-indexed-at>
</compound>
