4892-02-8 | Methyl thiosalicylate

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$14.00	$10.00
10g	98%	in stock	$27.00	$19.00
25g	98%	in stock	$61.00	$43.00
100g	98%	in stock	$112.00	$79.00

Description

• Catalog Number: AB46579
• Chemical Name: Methyl thiosalicylate
• CAS Number: 4892-02-8
• Molecular Formula: C8H8O2S
• Molecular Weight: 168.21292000000003
• MDL Number: MFCD00060678
• SMILES: COC(=O)c1ccccc1S
• NSC Number: 30156

Computed Properties

• Complexity: 147
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 1.9

Upstream Synthesis Route

Methyl thiosalicylate, a compound derived from the esterification of methanol and thiosalicylic acid, finds significant application in chemical synthesis due to its unique properties. In organic chemistry, Methyl thiosalicylate serves as a versatile building block for the creation of various functional molecules. Its thioester moiety and aromatic ring structure make it a valuable precursor in the synthesis of organic compounds, such as pharmaceuticals, fragrances, and agrochemicals. The sulfur atom in the thioester group can participate in a range of chemical reactions, offering opportunities for the introduction of sulfur-containing functional groups into target molecules. This characteristic makes Methyl thiosalicylate particularly useful in the development of sulfur-rich compounds for diverse applications. Furthermore, the ester functionality in Methyl thiosalicylate allows for facile modification through traditional chemical reactions, enabling the synthesis of tailored molecules with specific properties. Overall, the incorporation of Methyl thiosalicylate in chemical synthesis offers chemists a strategic tool to access a wide array of structurally diverse and functionally intricate compounds.

Literature

• 3,4-Dihydro-1,4-benzothia-zepin-5(2H)-one.

  Acta crystallographica. Section E, Structure reports online 20080101