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CS-W001157 4
Total: USD 88.00

2-[4-(methylsulfanyl)phenyl]ethan-1-ol

  • CAS No. 81227-89-6

  • Cat. No. CS-0225826
  • Molecule weight168.26
  • Purity≥95%
  • MDL No.None

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

2-[4-(methylsulfanyl)phenyl]ethan-1-ol|CS-0225826

Structure of 81227-89-6

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General Information

  • CAS No. 81227-89-6
  • Cat. No. CS-0225826
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂OS
  • Molecular Weight 168.26
  • Synonym(s) 2-(4-Methylsulfanylphenyl)ethanol
  • SMILES CSC1=CC=C(C=C1)CCO

Synthesis

  • Route1
    • (4-Methylsulfanylphenyl)Acetic acid methyl ester|CS-0743830
      70290-37-8
    • ~97%
    • 2-[4-(methylsulfanyl)phenyl]ethan-1-ol|CS-0225826
      81227-89-6

    References

    • Sankyo Company, Limited Patent: EP1632488 A1, 2006 ; Location in patent: Referential example 7 ;
  • Route2

    References

    • Avery, Mitchell A.; Muraleedharan, Kannoth M.; Desai, Prashant V.; Bandyopadhyaya, Achintya K.; Furtado, Marise M.; Tekwani, Babu L. Journal of Medicinal Chemistry, 2003 , vol. 46, # 20 p. 4244 - 4258
  • Route3
    • Ethyl 2-(4-(methylthio)phenyl)acetate|CS-0463581
      14062-27-2
    • ~%
    • 2-[4-(methylsulfanyl)phenyl]ethan-1-ol|CS-0225826
      81227-89-6

    References

    • Kiuchi, Masatoshi; Adachi, Kunitomo; Kohara, Toshiyuki; Minoguchi, Masanori; Hanano, Tokushi; Aoki, Yoshiyuki; Mishina, Tadashi; Arita, Masafumi; Nakao, Noriyoshi; Ohtsuki, Makio; Hoshino, Yukio; Teshima, Koji; Chiba, Kenji; Sasaki, Shigeo; Fujita, Tetsuro Journal of Medicinal Chemistry, 2000 , vol. 43, # 15 p. 2946 - 2961

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   1.9433
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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