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CS-W001157 4
Total: USD 88.00

4-Chloro-6-(methylthio)pyrimidine-5-carbonitrile

  • CAS No. 150807-96-8

  • Cat. No. CS-0315145
  • Molecule weight185.63
  • Purity≥95%
  • MDL No.None

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

4-Chloro-6-(methylthio)pyrimidine-5-carbonitrile|CS-0315145

Structure of 150807-96-8

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General Information

  • CAS No. 150807-96-8
  • Cat. No. CS-0315145
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄ClN₃S
  • Molecular Weight 185.63
  • Synonym(s) 4-Chloro-6-methylsulfanyl-pyrimidine-5-carbonitrile
  • SMILES CSC1=NC=NC(=C1C#N)Cl

Synthesis

  • Route1
    • 4-(Methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile|CS-0057792
      16071-28-6
    • ~54%
    • 4-Chloro-6-(methylthio)pyrimidine-5-carbonitrile|CS-0315145
      150807-96-8

    References

    • Ram, Vishnu J; Haque, Navedul; Nath, Mahendra Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1993 , vol. 32, # 7 p. 754 - 759
  • Route2
    • Methyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate|CS-0308955
      3490-92-4
    • ~%
    • 4-Chloro-6-(methylthio)pyrimidine-5-carbonitrile|CS-0315145
      150807-96-8

    References

    • Liu, Chunjian; Wrobleski, Stephen T.; Lin, James; Ahmed, Gulzar; Metzger, Axel; Wityak, John; Gillooly, Kathleen M.; Shuster, David J.; McIntyre, Kim W.; Pitt, Sidney; Shen, Ding Ren; Zhang, Rosemary F.; Zhang, Hongjian; Doweyko, Arthur M.; Diller, David; Henderson, Ian; Barrish, Joel C.; Dodd, John H.; Schieven, Gary L.; Leftheris, Katerina Journal of Medicinal Chemistry, 2005 , vol. 48, # 20 p. 6261 - 6270
  • Route3

    References

    • Agarwal, Nidhi; Raghuwanshi, Sandeep K.; Upadhyay; Shukla; Ram, Vishnu J. Bioorganic and Medicinal Chemistry Letters, 2000 , vol. 10, # 8 p. 703 - 706

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   49.57
  • LogP   1.72358
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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