59541-46-7 | Ethyl 3-amino-5-(methylthio)-1H-pyrazole-4-carboxylate

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$104.00	$73.00
250mg	95%	in stock	$186.00	$131.00

Description

• Catalog Number: AG81540
• Chemical Name: Ethyl 3-amino-5-(methylthio)-1H-pyrazole-4-carboxylate
• CAS Number: 59541-46-7
• Molecular Formula: C7H11N3O2S
• Molecular Weight: 201.2461
• MDL Number: MFCD01108198
• SMILES: CCOC(=O)c1c(SC)[nH]nc1N

Computed Properties

• Complexity: 191
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 4
• XLogP3: 1.5

Literature

• Synthesis and pharmacological investigation of 5-substituted-3-methylsulfanyl-1H-pyrazole-4-carboxylic acid ethyl esters as new analgesic and anti-inflammatory agents.

  Arzneimittel-Forschung 20121001

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101

• Ethyl 5-amino-3-methyl-sulfan-yl-1H-pyrazole-4-carboxyl-ate.

  Acta crystallographica. Section E, Structure reports online 20081201