<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">78441</id>
  <title nil="true"/>
  <common-name>2,3-Dihydro-6-methyl-4H-1-benzothiopyran-4-one</common-name>
  <description nil="true"/>
  <cas>6948-34-1</cas>
  <pubchem-id>81380</pubchem-id>
  <chemical-formula>C10H10O1S1</chemical-formula>
  <weight>178.25</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">2026-04-04T12:29:19Z</created-at>
  <updated-at type="dateTime">2026-08-17T21:47:26Z</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>CC1=CC2=C(SCCC2=O)C=C1</moldb-smiles>
  <moldb-formula>C10H10O1S1</moldb-formula>
  <moldb-inchi>InChI=1S/C10H10OS/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6H,4-5H2,1H3</moldb-inchi>
  <moldb-inchikey>BYWVVMGBFKFYMY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">178.25</moldb-average-mass>
  <moldb-mono-mass type="decimal">178.045236</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.3</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>73428</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>CHEM074334</chemdb-id>
  <dsstox-id>DTXSID90219700</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00036862</susdat-id>
  <iupac>6-methyl-2,3-dihydrothiochromen-4-one</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>Thiochromanes</klass>
  <subklass nil="true"/>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0120998</sync-id>
  <structure-inchikey>BYWVVMGBFKFYMY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000000400000000000000000040000000000000000001000000000000000000020000000008000000000000000000000040000000010000000000000000000800000000000000000000020000010000000000000000081000000000400000000000000000000100000000000020000040000000000000004040000000040000000000000000000000000000000000000000000000000000000000000100000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000002000200200000000000000000100000000000040000000000000000000000000000000000000000000</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">2026-09-19T04:25:54Z</structure-indexed-at>
</compound>
