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CS-W001157 4
Total: USD 88.00

3-(Benzo[d]oxazol-2-ylthio)propanoic acid

  • CAS No. 60788-67-2

  • Cat. No. CS-0314664
  • Purity95+%
  • MDL No.None

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

3-(Benzo[d]oxazol-2-ylthio)propanoic acid|CS-0314664

Structure of 60788-67-2

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General Information

  • CAS No. 60788-67-2
  • Cat. No. CS-0314664
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₃S
  • Molecular Weight 223.25
  • Synonym(s) 3-(1,3-Benzoxazol-2-ylsulfanyl)propanoic acid
  • SMILES C1=CC=C2C(=C1)N=C(O2)SCCC(=O)O

Synthesis

  • Route1
    • null|null
      25176-73-2
    • ~90%
    • 3-(Benzo[d]oxazol-2-ylthio)propanoic acid|CS-0314664
      60788-67-2

    References

    • Anan'eva, K.V.; Rozhkov, N.K. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1986 , vol. 22, # 4 p. 456 - 459 Khimiya Geterotsiklicheskikh Soedinenii, 1986 , vol. 22, # 4 p. 554 - 557
  • Route2

    References

    • Anan'eva, K. V.; Rozhkova, N. K. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1986 , vol. 22, # 5 p. 564 - 567 Khimiya Geterotsiklicheskikh Soedinenii, 1986 , vol. 22, # 5 p. 688 - 690
  • Route3

    References

    • Anan'eva, K.V.; Rozhkov, N.K. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1986 , vol. 22, # 4 p. 456 - 459 Khimiya Geterotsiklicheskikh Soedinenii, 1986 , vol. 22, # 4 p. 554 - 557

Safety Information

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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

Quality Control

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Computational Chemistry Data

  • TPSA   63.33
  • LogP   2.3946
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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