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4-(Methylthio)benzene-1-sulfonyl chloride

  • CAS No. 1129-25-5

  • Cat. No. CS-0044106
  • Molecule weight222.71
  • Purity≥95%
  • MDL No.MFCD08752808

*For research and further manufacturing use only, not for direct human use.

4-(Methylthio)benzene-1-sulfonyl chloride|CS-0044106

Structure of 1129-25-5

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General Information

  • CAS No. 1129-25-5
  • Cat. No. CS-0044106
  • Purity ≥95%
  • MDL No. MFCD08752808
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇ClO₂S₂
  • Molecular Weight 222.71
  • Synonym(s) 4-(Methylthio)benzenesulfonyl chloride
  • SMILES O=S(C1=CC=C(SC)C=C1)(Cl)=O

Description

4-(Methylthio)benzene-1-sulfonyl chloride features a sulfonochloride group flanked by an electron-rich aromatic ring and a methylthio substituent, enabling selective acylation in synthetic routes. This bench-stable reagent integrates readily into complex molecule assembly under standard conditions, offering high reactivity with nucleophiles while maintaining compatibility with sensitive functional groups.

Application

4-(Methylthio)benzene-1-sulfonyl chloride serves as a versatile sulfonylating agent for introducing sulfonamide functionalities under mild conditions. Its methylthio group enhances electrophilic reactivity while maintaining bench stability, enabling efficient coupling with amines and heterocycles. The compound facilitates the construction of biologically relevant sulfonamide scaffolds commonly found in medicinal chemistry campaigns.

Synthesis

  • Route1

    References

    • GLENMARK PHARMACEUTICALS S.A. Patent: WO2006/90244 A1, 2006 ; Location in patent: Page/Page column 38 ; WO 2006/090244 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   2.336
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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