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CS-W001157 4
Total: USD 88.00

2-(Methylthio)phenylboronic acid

  • CAS No. 168618-42-6

  • Cat. No. CS-D1039
  • Purity≥98%
  • MDL No.MFCD01318165

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

2-(Methylthio)phenylboronic acid|CS-D1039

Structure of 168618-42-6

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General Information

  • CAS No. 168618-42-6
  • Cat. No. CS-D1039
  • Purity ≥98%
  • MDL No. MFCD01318165
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉BO₂S
  • Molecular Weight 168.03
  • Synonym(s) 2-(Methylthio)benzeneboronic Acid (contains varying amounts of Anhydride)
  • SMILES CSC1=CC=CC=C1B(O)O

Synthesis

  • Route1
    • null|null
      5419-55-6
    • In-stock
      (2-Bromophenyl)(methyl)sulfane|CS-0150107
      19614-16-5
    • ~86%
    • In-stock
      2-(Methylthio)phenylboronic acid|CS-D1039
      168618-42-6

    References

    • Bristol-Myers Squibb Pharma Company Patent: EP946508 B1, 2009 ; Location in patent: Page/Page column 60 ;
  • Route2

    References

    • Chemical Communications, , vol. 46, # 34 p. 6380 - 6381

Safety Information

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

Quality Control

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Computational Chemistry Data

  • TPSA   40.46
  • LogP   0.0883
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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