<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">359765</id>
  <title nil="true"/>
  <common-name>6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-6h-1,2,4-triazine-3,5-dione</common-name>
  <description>6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-6h-1,2,4-triazine-3,5-dione is a chemical compound with the formula C5H4N6O2S2. It has an average molecular weight of 244.30 g/mol.</description>
  <cas>4956-10-9</cas>
  <pubchem-id>97246</pubchem-id>
  <chemical-formula>C5H4N6O2S2</chemical-formula>
  <weight>244.3</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">2026-09-01T08:00:28Z</created-at>
  <updated-at type="dateTime">2026-09-01T08:00:28Z</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>C1(C(=O)NC(=O)N=N1)SC2=NN=C(S2)N</moldb-smiles>
  <moldb-formula>C5H4N6O2S2</moldb-formula>
  <moldb-inchi>InChI=1S/C5H4N6O2S2/c6-3-9-11-5(15-3)14-2-1(12)7-4(13)10-8-2/h2H,(H2,6,9)(H,7,12,13)</moldb-inchi>
  <moldb-inchikey>SGBBYMMMVLQXHS-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">243.9837157</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.5</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>CHEM355658</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-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-6h-1,2,4-triazine-3,5-dione</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>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0309962</sync-id>
  <structure-inchikey>SGBBYMMMVLQXHS-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000000000000000020000800000000002000000000000000000000000000000000000020000000000000002080000000000000000000000000000000000000000000040000000000000000000020000010000000000000000100000000000080000000400000000000000000000000000000000000000000010000100020000008000002000000201000000000081000000000000000000040008000000000100000000000000000080002008200010000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000100000040000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>400040a08902140180c020000108600000000400002520000c3620400210000cc002105860800000080001002080000004200020808c30012010443000b0400084110440021004008090100040620010000001804001013240440422000408000c200006004802002000000054140000203680300109c40431180860021100020040001a0c4002081c00020208080008111e0012444014022000080008c04085404300000008413000000940052c211002d00004884108401803020002600210004050062400001201800004040102804400000022004020011000040880010000800010104002400000040840203000001200109040100a0000008058010006</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������h��������(�������(�������(�������(������� �����@(������@(������@(������@(������@(�������h������������(��� �� ��(��� ��(�����	�	
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	������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:57:16Z</structure-indexed-at>
</compound>
