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CS-W001157 4
Total: USD 88.00

2-(Propylsulfonyl)aniline

  • CAS No. 76697-58-0

  • Cat. No. CS-0143586
  • Molecule weight199.27
  • Purity≥98%
  • MDL No.None

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

2-(Propylsulfonyl)aniline|CS-0143586

Structure of 76697-58-0

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General Information

  • CAS No. 76697-58-0
  • Cat. No. CS-0143586
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₃NO₂S
  • Molecular Weight 199.27
  • Synonym(s) 2-(Propylsulphonyl)aniline
  • SMILES O=S(C1=CC=CC=C1N)(CCC)=O

Synthesis

  • Route1
    • 1-Nitro-2-(Propane-1-sulfonyl)-benzene|CS-0769993
      76697-43-3
    • ~%
    • 2-(Propylsulfonyl)aniline|CS-0143586
      76697-58-0

    References

    • Hodson, Stephen J.; Bishop, Michael J.; Speake, Jason D.; Navas III, Frank; Garrison, Deanna T.; Bigham, Eric C.; Saussy Jr., David L.; Liacos, James A.; Irving, Paul E.; Jeffrey Gobel; Sherman, Bryan W. Journal of Medicinal Chemistry, 2002 , vol. 45, # 11 p. 2229 - 2239
  • Route2
    • null|null
      80-82-0
    • ~%
    • 2-(Propylsulfonyl)aniline|CS-0143586
      76697-58-0

    References

    • Hodson, Stephen J.; Bishop, Michael J.; Speake, Jason D.; Navas III, Frank; Garrison, Deanna T.; Bigham, Eric C.; Saussy Jr., David L.; Liacos, James A.; Irving, Paul E.; Jeffrey Gobel; Sherman, Bryan W. Journal of Medicinal Chemistry, 2002 , vol. 45, # 11 p. 2229 - 2239

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

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Computational Chemistry Data

  • TPSA   60.16
  • LogP   1.4525
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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