45534-08-5 | 3-Amino-5-methylthio-1h-1,2,4-triazole

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$17.00	$12.00
5g	98%	in stock	$29.00	$20.00
25g	98%	in stock	$93.00	$65.00
100g	98%	in stock	$300.00	$210.00
500g	98%	in stock	$1,279.00	$895.00

Description

• Catalog Number: AB64273
• Chemical Name: 3-Amino-5-methylthio-1h-1,2,4-triazole
• CAS Number: 45534-08-5
• Molecular Formula: C3H6N4S
• Molecular Weight: 130.1715
• MDL Number: MFCD00005232
• SMILES: CSc1nc(n[nH]1)N
• NSC Number: 178858

Computed Properties

• Complexity: 77.7
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 0.5

Literature

• Ethyl 7-chloro-methyl-5-(2-chloro-phen-yl)-7-hydr-oxy-2-methyl-sulfanyl-4,5,6,7-tetra-hydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxyl-ate.

  Acta crystallographica. Section E, Structure reports online 20091101

• Ethyl 5-chloro-methyl-2-methyl-sulfanyl-7-phenyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxyl-ate.

  Acta crystallographica. Section E, Structure reports online 20080101