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2-Mercapto-4,5,6-trimethylnicotinonitrile

  • CAS No. 128917-84-0

  • Cat. No. CS-0279552
  • Molecule weight178.25
  • Purity≥98%
  • MDL No.MFCD00052657

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

2-Mercapto-4,5,6-trimethylnicotinonitrile|CS-0279552

Structure of 128917-84-0

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General Information

  • CAS No. 128917-84-0
  • Cat. No. CS-0279552
  • Purity ≥98%
  • MDL No. MFCD00052657
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀N₂S
  • Molecular Weight 178.25
  • Synonym(s) 4,5,6-trimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
  • SMILES CC1=C(C)C(=C(N=C1C)S)C#N

Synthesis

  • Route1

    References

    • Elgemeie, Galal E. H.; Ali, Hosny A.; Eid, Mohga M. Journal of Chemical Research, Miniprint, 1993 , # 7 p. 1517 - 1532
  • Route2
    • null|null
      123-54-6
    • ~%
    • 2-Mercapto-4,5,6-trimethylnicotinonitrile|CS-0279552
      128917-84-0

    References

    • Pharmazie, , vol. 45, # 2 p. 102 - 109

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P341-P312-P330-P363-P501

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   2.16724
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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