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CS-W001157 4
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3-Amino-5-tert-butylthiophene-2-carbonitrile

  • CAS No. 677277-39-3

  • Cat. No. CS-0022332
  • Molecule weight180.27
  • Purity≥97%
  • MDL No.None

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

3-Amino-5-tert-butylthiophene-2-carbonitrile|CS-0022332

Structure of 677277-39-3

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General Information

  • CAS No. 677277-39-3
  • Cat. No. CS-0022332
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂N₂S
  • Molecular Weight 180.27
  • Synonym(s) 3-AMINO-5-(TERT-BUTYL)THIOPHENE-2-CARBONITRILE
  • SMILES N#CC1=C(N)C=C(C(C)(C)C)S1

Synthesis

  • Route1
    • null|null
      107-14-2
    • 3-Chloro-4,4-dimethyl-pent-2-enenitrile|CS-0341276
      216574-58-2
    • ~65%
    • 3-Amino-5-tert-butylthiophene-2-carbonitrile|CS-0022332
      677277-39-3

    References

    • KASINA LAILA INNOVA PHARMACEUTICALS PRIVATE LIMITED; GOKARAJU, Ganga Raju; KASINA, Sudhakar; SOMEPALLI, Venkateswarlu; GOKARAJU, Rama Raju; GOKARAJU, Venkata Kanaka Ranga Raju; BHUPATHIRAJU, Kiran; GOLAKOTI, Trimurtulu; SENGUPTA, Krishanu; ALLURI, Venkata Krishna Raju Patent: WO2012/77135 A2, 2012 ; Location in patent: Page/Page column 75-76 ; WO 2012/077135 A2

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

  • TPSA   49.81
  • LogP   2.49948
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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