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CS-W001157 4
Total: USD 88.00

2-(Tert-butylthio)benzoic acid

  • CAS No. 7611-60-1

  • Cat. No. CS-0364856
  • Molecule weight210.29
  • Purity95+%
  • MDL No.None

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

2-(Tert-butylthio)benzoic acid|CS-0364856

Structure of 7611-60-1

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General Information

  • CAS No. 7611-60-1
  • Cat. No. CS-0364856
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₂S
  • Molecular Weight 210.29
  • Synonym(s) 2-tert-Butylsulfanyl-benzoic acid
  • SMILES CC(C)(C)SC1=CC=CC=C1C(=O)O

Synthesis

  • Route1

    References

    • Hiruta, Yuki; Watanabe, Takafumi; Nakamura, Etsuko; Iwasawa, Naoko; Sato, Hiroyasu; Hamada, Kensaku; Citterio, Daniel; Suzuki, Koji RSC Advances, 2014 , vol. 4, # 19 p. 9791 - 9798
  • Route2
    • Tert-Butyl phenyl sulfide|CS-0745323
      3019-19-0
    • null|null
      124-38-9
    • ~%
    • 2-(Tert-butylthio)benzoic acid|CS-0364856
      7611-60-1

    References

    • Horner, L.; Lawson, A. J.; Simons, G. Phosphorus and Sulfur and the Related Elements, 1981 , vol. 12, p. 353 - 356

Safety Information

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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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.2754
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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