117324-16-0 | Methyl 2-amino-5-(thiocyanato)benzoate

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$105.00	$74.00
5g	95%	in stock	$386.00	$270.00

Description

• Catalog Number: AE46286
• Chemical Name: Methyl 2-amino-5-(thiocyanato)benzoate
• CAS Number: 117324-16-0
• Molecular Formula: C9H8N2O2S
• Molecular Weight: 208.237
• MDL Number: MFCD03176138
• SMILES: N#CSc1ccc(c(c1)C(=O)OC)N

Computed Properties

• Complexity: 261
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3
• XLogP3: 3.2

Literature

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

  Bioorganic & medicinal chemistry letters 20101101