<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365472</id>
  <title nil="true"/>
  <common-name>1-[(3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-1,3-diazinane-2-thione</common-name>
  <description>1-[(3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-1,3-diazinane-2-thione is a compound with the formula C9H16N2O5S. It has an average molecular weight of 264.30 g/mol.</description>
  <cas>99677-77-7</cas>
  <pubchem-id>3063029</pubchem-id>
  <chemical-formula>C9H16N2O5S</chemical-formula>
  <weight>264.3</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">2026-09-01T16:04:43Z</created-at>
  <updated-at type="dateTime">2026-09-01T16:04:43Z</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>C1CNC(=S)N(C1O)C2C(C(C(O2)CO)O)O</moldb-smiles>
  <moldb-formula>C9H16N2O5S</moldb-formula>
  <moldb-inchi>InChI=1S/C9H16N2O5S/c12-3-4-6(14)7(15)8(16-4)11-5(13)1-2-10-9(11)17/h4-8,12-15H,1-3H2,(H,10,17)/t4-,5?,6-,7-,8?/m1/s1</moldb-inchi>
  <moldb-inchikey>ABHLDPBNSGKFHE-DJAUARBVSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">264.0779928</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>CHEM361365</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>1-[(3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-1,3-diazinane-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>Nucleosides, nucleotides, and analogues</superklass>
  <klass>Pyrimidine nucleosides</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0315425</sync-id>
  <structure-inchikey>ABHLDPBNSGKFHE-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>10800050000000000000000081000000000002000000000000000000004000000000000000000000020000000000000200000000000000000000000000000000000000200000000000800000000000000000000000000000000000010000000000000000000000000000020100000000000000000000100000000000000000000000200000000200000080000000000000200000400000000000000004000000000000080000000000000000000400000100000008000000000000000000000000000000008000000000000000040000000010080000000000000000000800002020100000000040000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������h��������(�������(�������(�������`�������`�������`�������`�������`�������`������� ������`�������`�������`�������`�������������� ��(��� ����������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T06:01:32Z</structure-indexed-at>
</compound>
