<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">364975</id>
  <title nil="true"/>
  <common-name>1-(3,5-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol</common-name>
  <description>1-(3,5-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol is a compound with the formula C9H13Br2NOS. It has an average molecular weight of 343.08 g/mol.</description>
  <cas>62673-58-9</cas>
  <pubchem-id>3046801</pubchem-id>
  <chemical-formula>C9H13Br2NOS</chemical-formula>
  <weight>343.08</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">2026-09-01T15:21:02Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:21:02Z</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>CC(C)NCC(C1=C(C=C(S1)Br)Br)O</moldb-smiles>
  <moldb-formula>C9H13Br2NOS</moldb-formula>
  <moldb-inchi>InChI=1S/C9H13Br2NOS/c1-5(2)12-4-7(13)9-6(10)3-8(11)14-9/h3,5,7,12-13H,4H2,1-2H3</moldb-inchi>
  <moldb-inchikey>PHCVVTFFVNUOSK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">340.90846</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.9</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>CHEM360868</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>1-(3,5-dibromothiophen-2-yl)-2-(propan-2-ylamino)ethanol</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>Thiophenes</klass>
  <subklass>2,3,5-trisubstituted thiophenes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0314938</sync-id>
  <structure-inchikey>PHCVVTFFVNUOSK-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000000000000002000000000000000100000000000001000020001000000000000000000000000000000000000000000000000000000000000000000000002000000000000000010000000000000800000000000020000010000004000000000100000000000000000040000000000000000008800000040000000000000000000000080200000010000000000000000800000000000000000000000002000080000000000020000000000000000000000000000000000020000000000010100000000000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000020000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:12Z</structure-indexed-at>
</compound>
