4-Amino-6-(2-Methyl-2-Propanyl)-3-Thioxo-3,4-Dihydro-1,2,4-Triazin-5(2H)-One
[CAS# 57989-76-1]

Identification

• Name: 4-Amino-6-(2-Methyl-2-Propanyl)-3-Thioxo-3,4-Dihydro-1,2,4-Triazin-5(2H)-One
• Synonyms: 1,2,4-Triazin-5(2H)-one, 4-amino-6-(1,1-dimethylethyl)-3,4-dihydro-3-thioxo-; 3-thio-4-amino-6-tbutyl-1,2,4-triazine-5-one; 4-Amino-6-(tert-butyl)-3-mercapto-1,2,4-triazin-5(4H)-one
• Molecular Formula: C₇H₁₂N₄OS
• Molecular Weight: 200.26
• CAS Registry Number: 57989-76-1
• SMILES: CC(C)(C)C1=NNC(=S)N(C1=O)N
• InChI: 1S/C7H12N4OS/c1-7(2,3)4-5(12)11(8)6(13)10-9-4/h8H2,1-3H3,(H,10,13)
• InChIKey: OFKAVNQBCRJBJE-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 284.7±23.0°C at 760 mmHg (Cal.)
• Flash point: 126.0±22.6°C (Cal.)

Safety Data

• Safety Description: Irritant

References

• (1): B. Sridhar, K. Ravikumar, H. S. Yathirajan, H. G. Anilkumar and B. Narayana. 4-Amino-6-tert-butyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one, Acta Cryst. (2006). E62, o1382-o1383