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CS-W001157 4
Total: USD 88.00

Methyl 3-oxo-2,3-dihydroisothiazole-5-carboxylate

  • CAS No. 100241-89-2

  • Cat. No. CS-0112676
  • Purity≥98%
  • MDL No.None

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

Methyl 3-oxo-2,3-dihydroisothiazole-5-carboxylate|CS-0112676

Structure of 100241-89-2

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General Information

  • CAS No. 100241-89-2
  • Cat. No. CS-0112676
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅NO₃S
  • Molecular Weight 159.16
  • Synonym(s) Methyl-3-hydroxyisothiazole-5-carboxylate
  • SMILES O=C(C(SN1)=CC1=O)OC

Synthesis

  • Route1
    • null|null
      67-56-1
    • 3-Hydroxyisothiazole-5-carboxamide|CS-0808290
      62020-63-7
    • ~66%
    • Methyl 3-oxo-2,3-dihydroisothiazole-5-carboxylate|CS-0112676
      100241-89-2

    References

    • Frolund; Ebert; Lawrence; Hurt; Krogsgaard-Larsen Journal of Labelled Compounds and Radiopharmaceuticals, 1995 , vol. 36, # 9 p. 877 - 889

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   59.16
  • LogP   0.223
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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