3-Mercapto-5-oxo-4,5-dihydro-1,2,4-triazine-6-carboxylic acid

CAS: 7338-75-2

Ref. 3D-FM122387

Product Information

• Name: 3-Mercapto-5-oxo-4,5-dihydro-1,2,4-triazine-6-carboxylic acid
• Synonyms: 1,2,4-triazine-6-carboxylic acid, 4,5-dihydro-3-mercapto-5-oxo-

Description

3-Mercapto-5-oxo-4,5-dihydro-1,2,4-triazine-6-carboxylic acid (MTCT) is a molecule that has been optimized for molecular interactions. This molecule was experimentally observed to have the tautomeric form of 3-(2'-hydroxyethyl)-5-oxo-4,5-dihydro-1,2,4-triazine. The vibrational and Raman spectra of MTCT were studied and found to be consistent with the proposed structure. The functional groups present in this molecule are hydroxyl and carboxylic acid. The molecular structure of MTCT is shown below:

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3 - Mercapto - 5 - oxo - 4 , 5 - dihydro - 1 , 2 , 4 - triazine - 6 - carboxylic acid

• Brand: Biosynth

Chemical properties

• Molecular weight: 173.15 g/mol
• Formula: C₄H₃N₃O₃S
• Purity: Min. 95%
• InChI: InChI=1S/C4H3N3O3S/c8-2-1(3(9)10)6-7-4(11)5-2/h(H,9,10)(H2,5,7,8,11)
• InChI key: InChIKey=FNIWYYXBXXNBTQ-UHFFFAOYSA-N
• SMILES: O=C(O)c1n[nH]c(=S)[nH]c1=O