<?xml version="1.0" encoding="UTF-8"?>
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  <common-name>Isopropylthiophene</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>138113</pubchem-id>
  <chemical-formula>C7H10S</chemical-formula>
  <weight nil="true"/>
  <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">2026-04-04T22:03:55Z</created-at>
  <updated-at type="dateTime">2026-04-04T22:03:55Z</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>CCCC1=CC=CS1</moldb-smiles>
  <moldb-formula>C7H10S</moldb-formula>
  <moldb-inchi>InChI=1/C7H10S/c1-6(2)7-4-3-5-8-7/h3-6H,1-2H3</moldb-inchi>
  <moldb-inchikey>LOXBELRNKUFSRD-UHFFFAOYSA-N</moldb-inchikey>
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  <moldb-mono-mass type="decimal">126.0503213</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM082997</chemdb-id>
  <dsstox-id>DTXSID50165810</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00047602</susdat-id>
  <iupac nil="true"/>
  <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>Heteroaromatic compounds</klass>
  <subklass nil="true"/>
  <paper-count type="integer">6</paper-count>
  <sync-id>CED0039836</sync-id>
  <structure-inchikey>BTXIJTYYMLCUHI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000800000000000000000000000000008000000000040000000000002000000000000000000000100000000000000000000000000000010000000000000000000000000000000000000800010000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000040000000800000000000000000000000000000000000001000800000000000000000000000000000080000000000000000000000000000000000000000000001000000000000000000000000000000000000004200000200000000000000000000000000000040000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>10000000000000000000000000020000000800000040000000002400200000440000000008000000000010000000000042000000004000000074420002000048011000000100000000000000442000000000040400100020000002400000000042004000000000020000000440080012000001000000000150800200010000200400000040000000800000208080000100400024400000000008800080000044001000000004000000008000100000002c0000000000840080000000000000000000000040000000080000000000000000000000000402000000004080000000000080000090000000000000000000000000000004002080000002050010000</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`������@(������@h�������@h�������@h�������@(�����������������h���h���h���h���h�B��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:31:16Z</structure-indexed-at>
</compound>
