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CAS 51101-09-8

:

ethyl 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate

Description:
Ethyl 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate, with the CAS number 51101-09-8, is a chemical compound characterized by its unique triazine ring structure, which incorporates both thioxo and carboxylate functional groups. This compound typically exhibits properties associated with heterocyclic compounds, including potential reactivity due to the presence of the carbonyl and thioxo groups. It is likely to be a solid at room temperature, with solubility in polar organic solvents, reflecting its functional groups. The presence of the ethyl ester group suggests it may participate in esterification or hydrolysis reactions. Additionally, compounds of this nature may exhibit biological activity, making them of interest in pharmaceutical and agrochemical research. However, specific physical properties such as melting point, boiling point, and spectral data would require empirical determination or literature reference for precise characterization. Overall, ethyl 5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate represents a complex and potentially versatile chemical entity.
Formula:C6H7N3O3S
InChI:InChI=1/C6H7N3O3S/c1-2-12-5(11)3-4(10)7-6(13)9-8-3/h2H2,1H3,(H2,7,9,10,13)
SMILES:CCOC(=O)c1c(nc(nn1)S)O
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