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CS-W001157 4
Total: USD 88.00

2-(Isopropylthio)benzoic acid

  • CAS No. 41394-95-0

  • Cat. No. CS-0452276
  • Molecule weight196.27
  • Purity≥98%
  • MDL No.None

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

2-(Isopropylthio)benzoic acid|CS-0452276

Structure of 41394-95-0

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General Information

  • CAS No. 41394-95-0
  • Cat. No. CS-0452276
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₂S
  • Molecular Weight 196.27
  • Synonym(s) STK288483
  • SMILES CC(C)SC1=CC=CC=C1C(=O)O

Synthesis

  • Route1

    References

    • Huynh, Han Vinh; Yeo, Chun Hui; Chew, Ying Xia Organometallics, 2010 , vol. 29, # 6 p. 1479 - 1486
  • Route2
    • null|null
      154550-04-6
    • ~87%
    • 2-(Isopropylthio)benzoic acid|CS-0452276
      41394-95-0

    References

    • Black, Michael; Cadogan, J. I. G.; McNab, Hamish Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1994 , # 2 p. 155 - 160
  • Route3

    References

    • Gilman; Webb Journal of the American Chemical Society, 1949 , vol. 71, p. 4062,4063

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-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   2.8853
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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