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CS-W001157 4
Total: USD 88.00

4-Chloro-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile

  • CAS No. 112969-42-3

  • Cat. No. CS-0376790
  • Purity≥97%
  • MDL No.None

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

4-Chloro-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile|CS-0376790

Structure of 112969-42-3

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General Information

  • CAS No. 112969-42-3
  • Cat. No. CS-0376790
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆ClN₃S
  • Molecular Weight 199.66
  • Synonym(s) 4-Chloro-5-cyano-2-methyl-6-(methylthio)pyrimidine
  • SMILES N#CC1=C(SC)N=C(C)N=C1Cl

Synthesis

  • Route1
    • 2-Methyl-4-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile|CS-0152840
      15908-63-1
    • ~80%
    • 4-Chloro-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile|CS-0376790
      112969-42-3

    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-2-methyl-6-(methylthio)pyrimidine-5-carbonitrile|CS-0376790
      112969-42-3

    References

    • Kohra, Shinya; Tominaga, Yoshinori; Hosomi, Akira Journal of Heterocyclic Chemistry, 1988 , vol. 25, p. 959 - 968
  • Route3

    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

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-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   49.57
  • LogP   2.032
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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