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CS-W001157 4
Total: USD 88.00

(4-(Chloromethyl)phenyl)(methyl)sulfane

  • CAS No. 874-87-3

  • Cat. No. CS-0356590
  • Purity≥98%
  • MDL No.MFCD00270118

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

(4-(Chloromethyl)phenyl)(methyl)sulfane|CS-0356590

Structure of 874-87-3

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General Information

  • CAS No. 874-87-3
  • Cat. No. CS-0356590
  • Purity ≥98%
  • MDL No. MFCD00270118
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉ClS
  • Molecular Weight 172.68
  • Synonym(s) 4-(Methylthio)benzyl chloride
  • SMILES ClCC1=CC=C(C=C1)SC

Description

This sulfane integrates a chloromethyl group and methyl substituent on a phenyl ring, enabling selective functionalization in synthetic workflows. The reactive chloride facilitates nucleophilic substitution under mild conditions, while the sulfur linkage provides stability and compatibility with diverse reaction environments.

Application

(4-(Chloromethyl)phenyl)(methyl)sulfane serves as a versatile bifunctional building block, enabling efficient installation of both aryl and alkyl thioether motifs in synthetic sequences. The chloromethyl group facilitates nucleophilic substitution reactions under mild conditions, while the sulfane functionality offers compatibility with various coupling protocols. Its bench-stable nature and tolerance to common functional groups support reliable use in medicinal chemistry and process development workflows.

Synthesis

  • Route1

    References

    • Ranatunge, Ramani R.; Garvey, David S.; Janero, David R.; Letts, L. Gordon; Martino, Allison M.; Murty, Madhavi G.; Richardson, Stewart K.; Young, Delano V.; Zemetseva, Irina S. Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 6 p. 1357 - 1366
  • Route2
    • null|null
      109-87-5
    • In-stock
      Thioanisole|CS-0015372
      100-68-5
    • null|null
      107-06-2
    • ~%
    • In-stock
      (4-(Chloromethyl)phenyl)(methyl)sulfane|CS-0356590
      874-87-3

    References

    • US4599362 A1, ;
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 46, # 5 p. 856 - 867

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.1473
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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