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CAS 503-89-9

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5-Thioxo-1,2,4-triazolidin-3-one

Description:
5-Thioxo-1,2,4-triazolidin-3-one, with the CAS number 503-89-9, is a heterocyclic compound characterized by a five-membered ring containing three nitrogen atoms and two carbon atoms, along with a sulfur atom. This compound features a thioxo group (C=S) at the 5-position and a carbonyl group (C=O) at the 3-position, contributing to its reactivity and potential biological activity. It is typically a white to off-white solid and is soluble in polar solvents. The presence of the triazolidinone structure suggests potential applications in pharmaceuticals, particularly as a scaffold for drug development due to its ability to interact with biological targets. Additionally, compounds of this class may exhibit antimicrobial, antifungal, or anti-inflammatory properties, making them of interest in medicinal chemistry. However, specific properties such as melting point, boiling point, and spectral data would require further investigation or reference to specialized databases for precise information.
Formula:C2H3N3OS
InChI:InChI=1S/C2H3N3OS/c6-1-3-2(7)5-4-1/h(H3,3,4,5,6,7)
InChI key:InChIKey=ZPDYXWCBXQWHAI-UHFFFAOYSA-N
SMILES:O=C1NC(=S)NN1
Synonyms:
  • 1,2,4-Triazolidin-5-one-3-thione
  • 3-Hydroxy-1H-1,2,4-triazole-5-thiol
  • 3-Hydroxy-5-mercapto-1,2,4-triazole
  • 3-Thiourazole
  • 5-Thioxo-1,2,4-triazolidin-3-one
  • Bicarbamimide, 1-thio-
  • Bicarbamimide, thio-
  • Bicarbamimide, thio- (8CI)
  • Bicarbamimide,1-thio- (6CI)
  • Monothiourazole
  • See more synonyms
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