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CS-W001157 4
Total: USD 88.00

1-Methyl-4-[(methylsulfanyl)sulfonyl]benzene

  • CAS No. 4973-66-4

  • Cat. No. CS-0215789
  • Purity≥98%
  • MDL No.None

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

1-Methyl-4-[(methylsulfanyl)sulfonyl]benzene|CS-0215789

Structure of 4973-66-4

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General Information

  • CAS No. 4973-66-4
  • Cat. No. CS-0215789
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀O₂S₂
  • Molecular Weight 202.29
  • Synonym(s) S-Methyl p-toluenethiosulfonate
  • SMILES CC1=CC=C(C=C1)S(=O)(=O)SC

Synthesis

  • Route1
    • null|null
      624-92-0
    • null|null
      824-79-3
    • ~99%
    • In-stock
      1-Methyl-4-[(methylsulfanyl)sulfonyl]benzene|CS-0215789
      4973-66-4

    References

    • Kyorin Pharmaceutical Co., Ltd. Patent: EP2149571 A1, 2010 ; Location in patent: Page/Page column 54-55 ;
  • Route2
    • Potassium p-toluenethiosulfonate, 98%|CS-0202377
      28519-50-8
    • ~98%
    • In-stock
      1-Methyl-4-[(methylsulfanyl)sulfonyl]benzene|CS-0215789
      4973-66-4

    References

    • Kaschula, Catherine H.; Hunter, Roger; Stellenboom, Nashia; Caira, Mino R.; Winks, Susan; Ogunleye, Thozama; Richards, Philip; Cotton, Jonathan; Zilbeyaz, Kani; Wang, Yabing; Siyo, Vuyolwethu; Ngarande, Ellen; Parker, M. Iqbal European Journal of Medicinal Chemistry, 2012 , vol. 50, p. 236 - 254
  • Route3
    • null|null
      68305-24-8
    • ~99%
    • In-stock
      1-Methyl-4-[(methylsulfanyl)sulfonyl]benzene|CS-0215789
      4973-66-4

    References

    • Takata, Toshikazu; Kim, Yong Hae; Oae, Shigeru Bulletin of the Chemical Society of Japan, 1981 , vol. 54, # 5 p. 1443 - 1447

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   2.04672
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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