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CS-W001157 4
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2-(Methylthio)cyclohexan-1-one

  • CAS No. 52190-35-9

  • Cat. No. CS-0348680
  • Molecule weight144.23
  • Purity≥98%
  • MDL No.None

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

2-(Methylthio)cyclohexan-1-one|CS-0348680

Structure of 52190-35-9

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General Information

  • CAS No. 52190-35-9
  • Cat. No. CS-0348680
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂OS
  • Molecular Weight 144.23
  • Synonym(s) 2-(Methylthio)cyclohexanone
  • SMILES O=C1C(SC)CCCC1

Synthesis

  • Route1

    References

    • Matsugi; Murata; Gotanda; Nambu; Anilkumar; Matsumoto; Kita Journal of Organic Chemistry, 2001 , vol. 66, # 7 p. 2434 - 2441
  • Route2
    • Dimethyl(methylthio)sulfonium Tetrafluoroborate|CS-0622317
      5799-67-7
    • null|null
      110-83-8
    • ~74%
    • 2-(Methylthio)cyclohexan-1-one|CS-0348680
      52190-35-9

    References

    • Trost, Barry M.; Shibata, Tohru; Martin, Steven J. Journal of the American Chemical Society, 1982 , vol. 104, # 11 p. 3228 - 3230
  • Route3
    • null|null
      110466-28-9
    • ~94%
    • 2-(Methylthio)cyclohexan-1-one|CS-0348680
      52190-35-9

    References

    • Youn, Joo-Hack; Herrmann, Rudolf; Ugi, Ivar Synthesis, 1987 , # 2 p. 159 - 161

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-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   1.8611
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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