1431-40-9 | 2-(Methylsulfanyl)-4,5,6-pyrimidinetriamine

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	1 week	$127.00	$89.00
250mg	95%	1 week	$129.00	$91.00
500mg	95%	1 week	$158.00	$111.00
1g	95%	1 week	$180.00	$126.00

Description

• Catalog Number: AE90637
• Chemical Name: 2-(Methylsulfanyl)-4,5,6-pyrimidinetriamine
• CAS Number: 1431-40-9
• Molecular Formula: C5H9N5S
• Molecular Weight: 171.2235
• MDL Number: MFCD00023239
• SMILES: CSc1nc(N)c(c(n1)N)N
• NSC Number: 119987

Computed Properties

• Complexity: 120
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 3
• Rotatable Bond Count: 1
• XLogP3: -0.3

Literature

• 4,5,6-Triamino-2-(methylsulfanyl)pyrimidine: pi-stacked hydrogen-bonded sheets of R2/2(8), R2/2(10) and R6/6(32) rings.

  Acta crystallographica. Section C, Crystal structure communications 20060301