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CS-W001157 4
Total: USD 88.00

4-(Phenylthio)butan-2-one

  • CAS No. 6110-01-6

  • Cat. No. CS-0454254
  • Molecule weight180.27
  • Purity≥98%
  • MDL No.None

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

4-(Phenylthio)butan-2-one|CS-0454254

Structure of 6110-01-6

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General Information

  • CAS No. 6110-01-6
  • Cat. No. CS-0454254
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂OS
  • Molecular Weight 180.27
  • Synonym(s) 4-Phenylsulfanyl-butan-2-one
  • SMILES CC(=O)CCSC1=CC=CC=C1

Synthesis

  • Route1
    • null|null
      78-94-4
    • null|null
      108-98-5
    • ~99%
    • 4-(Phenylthio)butan-2-one|CS-0454254
      6110-01-6

    References

    • Liu, Hong; Cohen, Theodore Journal of Organic Chemistry, 1995 , vol. 60, # 7 p. 2022 - 2025
  • Route2

    References

    • Xu, Xiao Bo; Yin, Xian Hong; Zhu, Yu Yang; Xu, Xin Hua; Luo, Tao; Li, Yin Hui; Lu, Xiong; Shao, Ling Ling; Pan, Jian Gao; Yang, Rong Hua Journal of Chemical Research, 2009 , # 12 p. 750 - 752
  • Route3
    • null|null
      27998-52-3
    • ~42%
    • 4-(Phenylthio)butan-2-one|CS-0454254
      6110-01-6
    • null|null
      134641-08-0

    References

    • Ohtsuka, Yoshikazu; Katoh, Osamu; Sugai, Takeshi; Ohta, Hiromichi Bulletin of the Chemical Society of Japan, 1997 , vol. 70, # 2 p. 483 - 491

Safety Information

Download SDS
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   17.07
  • LogP   2.7578
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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