<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">95030</id>
  <title nil="true"/>
  <common-name>N-(2-chloro-4-methyl-3-thienyl)-4,5-dihydro-1H-imidazol-2-amine monohydrochloride</common-name>
  <description>N-(2-chloro-4-methyl-3-thienyl)-4,5-dihydro-1H-imidazol-2-amine monohydrochloride belongs to the aryl chlorides, a subclass of aryl halides within the organic compounds. This compound has the chemical formula C8H10ClN3S and an average molecular weight of 252.16 g/mol.</description>
  <cas>31428-61-2</cas>
  <pubchem-id>39974</pubchem-id>
  <chemical-formula>C8H10ClN3S</chemical-formula>
  <weight>215.7</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">2026-04-05T03:08:19Z</created-at>
  <updated-at type="dateTime">2026-08-24T10:38:16Z</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>Cl.CC1=CSC(Cl)=C1NC1=NCCN1</moldb-smiles>
  <moldb-formula>C8H10ClN3S</moldb-formula>
  <moldb-inchi>InChI=1/C8H10ClN3S.ClH/c1-5-4-13-7(9)6(5)12-8-10-2-3-11-8;/h4H,2-3H2,1H3,(H2,10,11,12);1H</moldb-inchi>
  <moldb-inchikey>RPZYVGSSBVNVCS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">252.16</moldb-average-mass>
  <moldb-mono-mass type="decimal">215.028396</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.6</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>CHEM090923</chemdb-id>
  <dsstox-id>DTXSID70199273</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00056928</susdat-id>
  <iupac>N-(2-chloro-4-methylthiophen-3-yl)-4,5-dihydro-1H-imidazol-2-amine</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>Organohalogen compounds</superklass>
  <klass>Aryl halides</klass>
  <subklass>Aryl chlorides</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0097011</sync-id>
  <structure-inchikey>RPZYVGSSBVNVCS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000004000000000000000000000000000000000000000000000000000004040000000000000002400000000000000000000000000100000000000000080400000000000000000000000000010000000000000000000000000000000800000000000000000004000000010020000000000000000000000000000000040800010000000200000000080000000000000000000000000000000800080000000080000000000080100000000000000400000000400000000000020000001000000000000000001000000000010000000002000000000000000000000000000000000082040000000000000000000000000000000000000000000</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">2026-09-19T04:36:10Z</structure-indexed-at>
</compound>
