<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">361225</id>
  <title nil="true"/>
  <common-name>(5-methylsulfonylfuran-2-yl)methanamine</common-name>
  <description>(5-methylsulfonylfuran-2-yl)methanamine is a chemical compound with the formula C6H9NO3S. It has an average molecular weight of 175.21 g/mol.</description>
  <cas>1909337-66-1</cas>
  <pubchem-id>122163432</pubchem-id>
  <chemical-formula>C6H9NO3S</chemical-formula>
  <weight>175.21</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">2026-09-01T10:01:54Z</created-at>
  <updated-at type="dateTime">2026-09-01T10:01:54Z</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>CS(=O)(=O)C1=CC=C(O1)CN</moldb-smiles>
  <moldb-formula>C6H9NO3S</moldb-formula>
  <moldb-inchi>InChI=1S/C6H9NO3S/c1-11(8,9)6-3-2-5(4-7)10-6/h2-3H,4,7H2,1H3</moldb-inchi>
  <moldb-inchikey>BXMHHPDUTMFPMC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">175.0303143</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-0.5</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>CHEM357118</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>(5-methylsulfonylfuran-2-yl)methanamine</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>CED0311347</sync-id>
  <structure-inchikey>BXMHHPDUTMFPMC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000000800000000000000000000200000000000000000000200000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000008020900000000800000000000000000000000000000000000000001000000000000000000000000000000400000000000000000040000000000000000000000000001000002000000000000200000008000000000000000000000000080000000000000000000000080000000000000000000000000000000800000000000000000000000000000000000a00000000000000000000000000000040000000000000020000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������(�������(������@(������@h�������@h�������@(������@(�������`�������`����������������������h���h���h���h��	�	
���h�B��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:58:36Z</structure-indexed-at>
</compound>
