1074-41-5 | 4-Amino-2-(methylthio)-6-pyrimidinol

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$8.00	$5.00
1g	98%	in stock	$12.00	$8.00
5g	98%	in stock	$18.00	$13.00
10g	98%	in stock	$35.00	$25.00

Description

• Catalog Number: AB66548
• Chemical Name: 4-Amino-2-(methylthio)-6-pyrimidinol
• CAS Number: 1074-41-5
• Molecular Formula: C5H7N3OS
• Molecular Weight: 157.1936
• MDL Number: MFCD00055198
• SMILES: CSc1nc(N)cc(=O)[nH]1
• NSC Number: 9306

Computed Properties

• Complexity: 221
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 1
• XLogP3: -0.3

Literature

• Benzylation and nitrosation of 4-amino-2-(methylsulfanyl)pyrimidin-6(1H)-one: two P2(1)/c polymorphs of 4-amino-1-benzyl-2-(methylsulfanyl)pyrimidin-6(1H)-one with Z' = 1 and 2, 4-amino-6-benzyloxy-2-(methylsulfanyl)pyrimidine and 4-amino-1-benzyl-2-(methylsulfanyl)-5-nitrosopyrimidin-6(1H)-one all give different hydrogen-bonded supramolecular structures.

  Acta crystallographica. Section C, Crystal structure communications 20030801