1129-25-5 | 4-(Methylthio)benzenesulfonyl chloride

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$121.00	$85.00
5g	98%	in stock	$446.00	$312.00
10g	98%	in stock	$727.00	$509.00
25g	98%	in stock	$1,441.00	$1,009.00

Description

• Catalog Number: AD75222
• Chemical Name: 4-(Methylthio)benzenesulfonyl chloride
• CAS Number: 1129-25-5
• Molecular Formula: C7H7ClO2S2
• Molecular Weight: 222.7123
• MDL Number: MFCD08752808
• SMILES: CSc1ccc(cc1)S(=O)(=O)Cl

Computed Properties

• Complexity: 224
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• XLogP3: 2.5

Upstream Synthesis Route

4-(Methylthio)benzene-1-sulfonyl chloride is a versatile compound commonly used in chemical synthesis for its reactivity and functional group compatibility. Due to its sulfonyl chloride moiety, this compound serves as a valuable building block for the introduction of the sulfonyl group into organic molecules. In organic synthesis, it is often employed as a sulfonylating agent to introduce the sulfonyl group onto various functional groups, such as alcohol, amine, or thiol groups. This reaction leads to the formation of sulfonyl derivatives, which are important intermediates in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. In addition to sulfonylation reactions, 4-(Methylthio)benzene-1-sulfonyl chloride can also participate in other coupling reactions, such as nucleophilic substitution and palladium-catalyzed cross-coupling reactions, to create diverse chemical structures with tailored properties. Its broad utility in chemical synthesis makes it a valuable tool for organic chemists seeking to design and construct complex molecules efficiently.