<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">71127</id>
  <title nil="true"/>
  <common-name>3-Aminobenzenethiol</common-name>
  <description>3-Aminobenzenethiol (C6H7N1S1) is an organic compound with an average molecular weight of 125.19 g/mol. 3-Aminobenzenethiol belongs to the thiophenols, a class of benzenoids within the organic compounds. This substance has been identified as being found in or released from one recorded source: Electrical &amp; Electronic Equipment (Antennas).</description>
  <cas>22948-02-3</cas>
  <pubchem-id>31577</pubchem-id>
  <chemical-formula>C6H7N1S1</chemical-formula>
  <weight>125.19</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">2026-04-03T18:07:25Z</created-at>
  <updated-at type="dateTime">2026-08-23T14:35:55Z</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>NC1=CC(S)=CC=C1</moldb-smiles>
  <moldb-formula>C6H7N1S1</moldb-formula>
  <moldb-inchi>InChI=1S/C6H7NS/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2</moldb-inchi>
  <moldb-inchikey>KFFUEVDMVNIOHA-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">125.19</moldb-average-mass>
  <moldb-mono-mass type="decimal">125.02992</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.5</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>29285</chemspider-id>
  <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>CHEM067020</chemdb-id>
  <dsstox-id>DTXSID00177488</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00027305</susdat-id>
  <iupac>3-aminobenzenethiol</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>Thiophenols</klass>
  <subklass nil="true"/>
  <paper-count type="integer">5</paper-count>
  <sync-id>CED0042918</sync-id>
  <structure-inchikey>KFFUEVDMVNIOHA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000000010000000000000000000000000000000000000000008000000000000100000000000000000000000100000000000000000000000000000000000000000000000000000000100080000000000000000000000000000000000001000000000000800000000000000000001000000000000000000000000000000000000000000000000000080000000000000000004000000000000000000000000000000000000000000000000000000000000000000000000200000000000001000000000000000040000010000040000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>1000000080100000000000000002000000000000004000000202040020000044000000000800000000001000000000004200020000c20010000442000a0000080110020020000000000000000420000000001004000000200000020000200000c0004040000000000000000400000002000801001000004511800000011000200400000040000000c00000008000000100c00024c00000000000800000040004003000000004000000008400034001002c0000000400840000000000000001000000000044800000180000000000000000000000000400000000000080001000000000000000000000000000000000020000000004000020008000050000400</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���h�������@(������@h�������@(�������`������@h�������@h�������@h��������� ��h���h������h���h���h���h�B���������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:20:28Z</structure-indexed-at>
</compound>
