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CS-W001157 4
Total: USD 88.00

2-(Tert-butylthio)-1-phenylethan-1-one

  • CAS No. 85591-54-4

  • Cat. No. CS-0459085
  • Molecule weight208.32
  • Purity≥98%
  • MDL No.None

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

2-(Tert-butylthio)-1-phenylethan-1-one|CS-0459085

Structure of 85591-54-4

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General Information

  • CAS No. 85591-54-4
  • Cat. No. CS-0459085
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆OS
  • Molecular Weight 208.32
  • Synonym(s) 2-Tert-butylsulfanyl-1-phenylethanone
  • SMILES O=C(C1=CC=CC=C1)CSC(C)(C)C

Synthesis

  • Route1
    • Phenyl(3-phenyloxiran-2-yl)methanone|CS-0269728
      5411-12-1
    • null|null
      75-66-1
    • ~82%
    • 2-(Tert-butylthio)-1-phenylethan-1-one|CS-0459085
      85591-54-4

    References

    • Ranu, Brindaban C.; Mandal, Tanmay; Banerjee, Subhash; Dey, Suvendu S. Australian Journal of Chemistry, 2007 , vol. 60, # 4 p. 278 - 283
  • Route2
    • null|null
      6969-02-4
    • null|null
      75-66-1
    • ~77%
    • 2-(Tert-butylthio)-1-phenylethan-1-one|CS-0459085
      85591-54-4

    References

    • Ranu, Brindaban C.; Mandal, Tanmay; Banerjee, Subhash; Dey, Suvendu S. Australian Journal of Chemistry, 2007 , vol. 60, # 4 p. 278 - 283
  • Route3
    • null|null
      75-66-1
    • null|null
      70-11-1
    • ~%
    • 2-(Tert-butylthio)-1-phenylethan-1-one|CS-0459085
      85591-54-4

    References

    • Ojima,I.; Kondo,K. Bulletin of the Chemical Society of Japan, 1973 , vol. 46, # 5 p. 1539 - 1545

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.401
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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