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CS-W001157 4
Total: USD 88.00

3,5-Dimethylisothiazole-4-carbaldehyde

  • CAS No. 91367-85-0

  • Cat. No. CS-0495107
  • Purity≥98%
  • MDL No.None

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

3,5-Dimethylisothiazole-4-carbaldehyde|CS-0495107

Structure of 91367-85-0

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General Information

  • CAS No. 91367-85-0
  • Cat. No. CS-0495107
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇NOS
  • Molecular Weight 141.19
  • Synonym(s) 3,5-Dimethyl-4-isothiazolecarboxaldehyde
  • SMILES O=CC1=C(C)SN=C1C

Synthesis

  • Route1
    • 3,5-Dimethyl-4-isothiazolecarbonitrile|CS-0694341
      13950-66-8
    • ~77%
    • 3,5-Dimethylisothiazole-4-carbaldehyde|CS-0495107
      91367-85-0

    References

    • Alberola, Angel; Alonso, Felisa; Cuadrado, Purificacion; Sanudo, Maria Carmen Journal of Heterocyclic Chemistry, 1988 , vol. 25, p. 235 - 240
  • Route2
    • 4-Iodo-3,5-dimethylisothiazole|CS-0368842
      113234-27-8
    • ~%
    • 3,5-Dimethylisothiazole-4-carbaldehyde|CS-0495107
      91367-85-0

    References

    • Alberola, Angel; Alonso, Felisa; Cuadrado, Purificacion; Sanudo, Maria Carmen Journal of Heterocyclic Chemistry, 1988 , vol. 25, p. 235 - 240

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   1.57244
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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