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5-Chloro-3-(propan-2-yl)-1,2,4-thiadiazole

  • CAS No. 51302-12-6

  • Cat. No. CS-0072061
  • Molecule weight162.64
  • Purity≥97%
  • MDL No.MFCD09743916

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

5-Chloro-3-(propan-2-yl)-1,2,4-thiadiazole|CS-0072061

Structure of 51302-12-6

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General Information

  • CAS No. 51302-12-6
  • Cat. No. CS-0072061
  • Purity ≥97%
  • MDL No. MFCD09743916
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇ClN₂S
  • Molecular Weight 162.64
  • Synonym(s) 5-Chloro-3-isopropyl-1,2,4-thiadiazole
  • SMILES ClC1=NC(C(C)C)=NS1

Synthesis

  • Route1

    References

    • E. I. DU PONT DE NEMOURS AND COMPANY Patent: WO2008/124092 A2, 2008 ; Location in patent: Page/Page column 46 ;
  • Route2
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      57536-10-4
    • ~%
    • 5-Chloro-3-(propan-2-yl)-1,2,4-thiadiazole|CS-0072061
      51302-12-6

    References

    • Woerffel,U.; Behnisch,R. Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft, 1962 , vol. 295, p. 811 - 816

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
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   2.3149
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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