<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">284393</id>
  <title nil="true"/>
  <common-name>6-[(4-methoxyphenoxy)methyl]-1,3-oxazinane-2-thione</common-name>
  <description>6-[(4-methoxyphenoxy)methyl]-1,3-oxazinane-2-thione belongs to the anisoles, a subclass of phenol ethers within the organic compounds. It is classified under the benzenoids superclass. The compound has the formula C12H15NO3S and an average molecular weight of 253.32 g/mol.</description>
  <cas>57841-14-2</cas>
  <pubchem-id>3044898</pubchem-id>
  <chemical-formula>C12H15NO3S</chemical-formula>
  <weight>253.32</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">2026-08-27T20:01:42Z</created-at>
  <updated-at type="dateTime">2026-08-27T20:01:42Z</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>COC1=CC=C(C=C1)OCC2CCNC(=S)O2</moldb-smiles>
  <moldb-formula>C12H15NO3S</moldb-formula>
  <moldb-inchi>InChI=1S/C12H15NO3S/c1-14-9-2-4-10(5-3-9)15-8-11-6-7-13-12(17)16-11/h2-5,11H,6-8H2,1H3,(H,13,17)</moldb-inchi>
  <moldb-inchikey>RUPPKWIBJNWUAT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">253.0772645</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.4</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>CHEM280286</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>6-[(4-methoxyphenoxy)methyl]-1,3-oxazinane-2-thione</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>Anisoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0236270</sync-id>
  <structure-inchikey>RUPPKWIBJNWUAT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000000200000800042000000000000000000000000000000000000000000000000004000220000000000000000000000000000000000000000000000000000000000000000000000000000000000800000000100000200000006000000840000000000010040000000000000000000020000000000000000000000100000000040000000000000200000800000000000000000000000000000000000000000000004000000000000080100000000000000080400000000000000000080000000000000000000000000000000000000000000040000002200000000000000000000000000002040001000000000008000000000000000000000000000</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��� �	�	
�
�������� ��(��� ��h��
�B����������������
����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:58:41Z</structure-indexed-at>
</compound>
