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CS-W001157 4
Total: USD 88.00

(4-Chlorophenyl)methanethiol

  • CAS No. 6258-66-8

  • Cat. No. CS-0235904
  • Purity≥98%
  • MDL No.None

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

(4-Chlorophenyl)methanethiol|CS-0235904

Structure of 6258-66-8

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General Information

  • CAS No. 6258-66-8
  • Cat. No. CS-0235904
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇ClS
  • Molecular Weight 158.65
  • Synonym(s) 4-Chlorobenzyl mercaptan
  • SMILES C1=C(C=CC(=C1)Cl)CS

Description

(4-Chlorophenyl)methanethiol features a benzene ring bearing both a chloro substituent and a thioether-functionalized methylene group, enabling direct incorporation into sulfur-containing architectures. This bench-stable, moisture-tolerant reagent facilitates efficient coupling reactions in synthetic organic chemistry and serves as a key building block for functionalized aryl thiols.

Application

(4-Chlorophenyl)methanethiol serves as a versatile building block in synthetic organic chemistry, enabling the construction of thioether-linked pharmaceutical intermediates and functionalized heterocycles. Its robust bench stability and tolerance to diverse reaction conditions facilitate straightforward incorporation into complex molecules. The molecule functions effectively in nucleophilic substitution reactions and acts as a key scaffold for developing bioactive compounds through established coupling protocols.

Synthesis

  • Route1
    • null|null
      104-83-6
    • ~93%
    • In-stock
      (4-Chlorophenyl)methanethiol|CS-0235904
      6258-66-8

    References

    • Bandgar, Babasaheb P.; Pawar, Sanjay B. Journal of Chemical Research - Part S, 1998 , # 4 p. 212 - 213
  • Route2
    • null|null
      624731-62-0
    • ~92%
    • In-stock
      (4-Chlorophenyl)methanethiol|CS-0235904
      6258-66-8

    References

    • Holmes, Brian T.; Snow, Arthur W. Tetrahedron, 2005 , vol. 61, # 52 p. 12339 - 12342
  • Route3
    • 1-Chloro-4-(iodomethyl)benzene|CS-0616463
      35424-56-7
    • ~90%
    • In-stock
      (4-Chlorophenyl)methanethiol|CS-0235904
      6258-66-8

    References

    • Molina, P.; Alajarin, M.; Vilaplana, M. J.; Katritzky, A. R. Tetrahedron Letters, 1985 , vol. 26, # 4 p. 469 - 472

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.7698
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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