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CS-W001157 4
Total: USD 88.00

4-(Trifluoromethyl)-2-pyrimidinethiol

  • CAS No. 136547-17-6

  • Cat. No. CS-0005666
  • Purity≥98%
  • MDL No.MFCD00115113

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

4-(Trifluoromethyl)-2-pyrimidinethiol|CS-0005666

Structure of 136547-17-6

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General Information

  • CAS No. 136547-17-6
  • Cat. No. CS-0005666
  • Purity ≥98%
  • MDL No. MFCD00115113
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₃F₃N₂S
  • Molecular Weight 180.15
  • Synonym(s) BUTTPARK 27\08-66
  • SMILES SC1=NC=CC(C(F)(F)F)=N1

Synthesis

  • Route1
    • null|null
      59938-06-6
    • null|null
      17356-08-0
    • ~66%
    • 4-(Trifluoromethyl)-2-pyrimidinethiol|CS-0005666
      136547-17-6

    References

    • Gerus, I. I.; Vdovenko, S. I.; Gorbunova, M. G.; Kukhar', V. P. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1991 , vol. 27, # 4 p. 398 - 406 Khimiya Geterotsiklicheskikh Soedinenii, 1991 , # 4 p. 502 - 511

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   25.78
  • LogP   1.7841
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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