<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365131</id>
  <title nil="true"/>
  <common-name>3-methyl-2-thiophen-3-ylbutanamide</common-name>
  <description>3-methyl-2-thiophen-3-ylbutanamide is a chemical compound with the formula C9H13NOS. It has an average molecular weight of 183.27 g/mol.</description>
  <cas>73812-38-1</cas>
  <pubchem-id>3056607</pubchem-id>
  <chemical-formula>C9H13NOS</chemical-formula>
  <weight>183.27</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">2026-09-01T15:35:56Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:35:56Z</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)C(C1=CSC=C1)C(=O)N</moldb-smiles>
  <moldb-formula>C9H13NOS</moldb-formula>
  <moldb-inchi>InChI=1S/C9H13NOS/c1-6(2)8(9(10)11)7-3-4-12-5-7/h3-6,8H,1-2H3,(H2,10,11)</moldb-inchi>
  <moldb-inchikey>NUQLOYWTPKFBFT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">183.0717852</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.8</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>CHEM361024</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>3-methyl-2-thiophen-3-ylbutanamide</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>Lipids and lipid-like molecules</superklass>
  <klass>Fatty Acyls</klass>
  <subklass>Fatty amides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315090</sync-id>
  <structure-inchikey>NUQLOYWTPKFBFT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40020000000000000000000000000000000800000000000000000000010000000000001000000000000000000000000000000000000000000000000000000000000000000080000000000000000000000020000010000000000000000000000000000000010000000000000000000000000000000000000000100010000000000000000040000000000000000000000100001000000000080000000000000000000000000000000000000400080000000000000000000000000000000010000000000000000000000000000000000000000000000000000000000200204400000000000000000000000040000800000400002000000002000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`������@(������@h�������@(������@h�������@h��������(�������(�������h���������������������h���h���h���h��	�	
(�	� ��h�B��������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:18Z</structure-indexed-at>
</compound>
