<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">297394</id>
  <title nil="true"/>
  <common-name>O-[2-[(2s)-2-[(2-methylphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate</common-name>
  <description>O-[2-[(2s)-2-[(2-methylphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate belongs to the phenol ethers, a class of benzenoids within the organic compounds. It has the formula C15H19NO3S2 and an average molecular weight of 325.50 g/mol.</description>
  <cas>103195-90-0</cas>
  <pubchem-id>24837923</pubchem-id>
  <chemical-formula>C15H19NO3S2</chemical-formula>
  <weight>325.5</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">2026-08-28T13:37:32Z</created-at>
  <updated-at type="dateTime">2026-08-28T13:37:32Z</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=CC=CC=C1OCC2N(CCS2)C(=O)COC(=S)C</moldb-smiles>
  <moldb-formula>C15H19NO3S2</moldb-formula>
  <moldb-inchi>InChI=1S/C15H19NO3S2/c1-11-5-3-4-6-13(11)19-10-15-16(7-8-21-15)14(17)9-18-12(2)20/h3-6,15H,7-10H2,1-2H3/t15-/m0/s1</moldb-inchi>
  <moldb-inchikey>QBSXDIAKZBQPPQ-HNNXBMFYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">325.0806358</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.9</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>CHEM293287</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>O-[2-[(2s)-2-[(2-methylphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate</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>Phenol ethers</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0248778</sync-id>
  <structure-inchikey>QBSXDIAKZBQPPQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800041020000000010000000400000000000000020000000100100000000000100000000000000000000000000000000000000000000000000002000000000000000000000000020000018000100000000000000000000000400010000000000008000000000000000020100080000000000020040500000000040000000800100000000800000000000000100000000000000080000000200000000000000000000080100002000000000080000008200000000000000000000000000000000000000000000000000000000002000000200000000000000000000000000000040000000000400000000000020000001080800040000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@h�������@h�������@h�������@(�������(�������`�������`�������(�������`�������`������� ������(�������(�������`�������(�������(�������(�������`�����������h���h���h���h���h��� ����	�	
�
�������
� ��(��������� ��(������h�	�B������������
	������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:08:18Z</structure-indexed-at>
</compound>
