<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">278880</id>
  <title nil="true"/>
  <common-name>[2-(ethylamino)-1-(3-hydroxyphenyl)ethyl]sulfanylphosphonic acid</common-name>
  <description>[2-(ethylamino)-1-(3-hydroxyphenyl)ethyl]sulfanylphosphonic acid belongs to the 1-hydroxy-4-unsubstituted benzenoids, a subclass of phenols within the organic compounds. It has the chemical formula C10H16NO4PS and an average molecular weight of 277.28 g/mol. This compound is further classified within the superclass of benzenoids.</description>
  <cas>119610-65-0</cas>
  <pubchem-id>3088945</pubchem-id>
  <chemical-formula>C10H16NO4PS</chemical-formula>
  <weight>277.28</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">2026-08-26T18:48:02Z</created-at>
  <updated-at type="dateTime">2026-08-26T18:48:02Z</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>CCNCC(C1=CC(=CC=C1)O)SP(=O)(O)O</moldb-smiles>
  <moldb-formula>C10H16NO4PS</moldb-formula>
  <moldb-inchi>InChI=1S/C10H16NO4PS/c1-2-11-7-10(17-16(13,14)15)8-4-3-5-9(12)6-8/h3-6,10-12H,2,7H2,1H3,(H2,13,14,15)</moldb-inchi>
  <moldb-inchikey>WMLWPOBTIAHHGI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">277.0537662</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-2.3</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>CHEM274773</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-(ethylamino)-1-(3-hydroxyphenyl)ethyl]sulfanylphosphonic 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>Benzenoids</superklass>
  <klass>Phenols</klass>
  <subklass>1-hydroxy-4-unsubstituted benzenoids</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0230958</sync-id>
  <structure-inchikey>WMLWPOBTIAHHGI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000004000800000000800000000001000000080000000000000000000000002000000000000000000000400000000000000000000000002000000000000000000000000000002000800008020200000000000000000000040000000000000010000000100000000100000000000000000000000000000000800000001000040000400800000000000000080000000000000000000000000000000000800000000000000000400080000000000001000000000000000400080000000000000000400002000000000000000000000000000000200000200000000000000000000020000000040000000000000000000000000000000000002000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEQAAAIABBgBgAAAAAQMGAGAAAAAC
AgcAYAAAAAIBBgBgAAAAAgIGAGAAAAADAQZAKAAAAAMEBkBoAAAAAwMBBkAo
AAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEIAGgAAAADAQEQACAA
AAACDwAgAAAABQgAKAAAAAMCCABgAAAAAQEIAGAAAAABAQsAAQABAgACAwAD
BAAEBQAFBmgMBgdoDAcIaAwICWgMCQpoDAcLIAQMAAwNAA0OCAINDwANEAAK
BWgMQgEAAAAGBQoJCAcGFwQAAAAAAAAAFg==
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:54:20Z</structure-indexed-at>
</compound>
