112811-90-2 | 2-(Benzylthio)nicotinic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$42.00	$30.00
5g	98%	in stock	$110.00	$77.00

Description

• Catalog Number: AB63027
• Chemical Name: 2-(Benzylthio)nicotinic acid
• CAS Number: 112811-90-2
• Molecular Formula: C13H11NO2S
• Molecular Weight: 245.2969
• MDL Number: MFCD00661380
• SMILES: OC(=O)c1cccnc1SCc1ccccc1

Computed Properties

• Complexity: 254
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 17
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 4
• XLogP3: 2.7

Upstream Synthesis Route

2-(Benzylthio)nicotinic acid, also known as BNA, is a versatile compound widely utilized in chemical synthesis for various applications. With its unique structural properties, BNA plays a crucial role as a key building block in the development of pharmaceuticals, agrochemicals, and materials sciences. In chemical synthesis, 2-(Benzylthio)nicotinic acid acts as a valuable intermediate in the preparation of complex molecules. Its functional groups provide a platform for the introduction of additional chemical moieties, allowing for the synthesis of diverse compounds with tailored properties. BNA serves as a precursor for the creation of novel pharmaceutical candidates, agricultural chemicals, and advanced materials through strategic chemical transformations.The incorporation of 2-(Benzylthio)nicotinic acid into synthetic pathways enables chemists to access a wide range of structurally diverse molecules with potential application in drug discovery, crop protection, and material engineering. By harnessing the reactivity and versatility of BNA, researchers can develop innovative compounds that exhibit desired biological activities or material characteristics, thereby advancing the field of chemical synthesis.

Literature

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

  Bioorganic & medicinal chemistry letters 20101101

• Microsphere-based protease assays and screening application for lethal factor and factor Xa.

  Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501