2-Methylsulfanylpyrimidine-4,5,6-Triamine
[CAS# 1431-40-9]

Identification

• Name: 2-Methylsulfanylpyrimidine-4,5,6-Triamine
• Synonyms: 2-(Methylthio)Pyrimidine-4,5,6-Triamine; [4,6-Diamino-2-(Methylthio)Pyrimidin-5-Yl]Amine; Nsc119987
• Molecular Formula: C₅H₉N₅S
• Molecular Weight: 171.22
• CAS Registry Number: 1431-40-9
• SMILES: CSC1=NC(=C(N)C(=N1)N)N
• InChI: 1S/C5H9N5S/c1-11-5-9-3(7)2(6)4(8)10-5/h6H2,1H3,(H4,7,8,9,10)
• InChIKey: CTHYWCCCVXWRCA-UHFFFAOYSA-N

Properties

• Density: 1.472g/cm³ (Cal.)
• Boiling point: 451.251°C at 760 mmHg (Cal.)
• Flash point: 226.709°C (Cal.)

References

• (1): Justo Cobo, Adolfo Sánchez Rodrigo, Manuel Nogueras Montiel, John N. Low and Christopher Glidewell . 4,5,6-Triamino-2-(methylsulfanyl)pyrimidine: [pi]-stacked hydrogen-bonded sheets of R22(8), R22(10) and R66(32) rings , Acta Cryst (2006). C62, o142-o144  Â