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CS-W001157 4
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1-Methyl-2-thioxoimidazolidin-4-one

  • CAS No. 29181-65-5

  • Cat. No. CS-0068327
  • Molecule weight130.17
  • Purity≥98%
  • MDL No.None

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

1-Methyl-2-thioxoimidazolidin-4-one|CS-0068327

Structure of 29181-65-5

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General Information

  • CAS No. 29181-65-5
  • Cat. No. CS-0068327
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₆N₂OS
  • Molecular Weight 130.17
  • Synonym(s) 1-Methyl-2-sulfanylideneimidazolidin-4-one
  • SMILES S=C1N(CC(N1)=O)C

Description

1-Methyl-2-thioxoimidazolidin-4-one features a reactive thioxo group flanked by nitrogen atoms, enabling efficient integration into heterocyclic scaffolds. This bench-stable, moisture-tolerant compound serves as a key intermediate in synthesizing bioactive imidazolidinone derivatives and functionalized pharmaceuticals.

Application

1-Methyl-2-thioxoimidazolidin-4-one serves as a versatile building block in medicinal chemistry, enabling efficient access to imidazolidinone-based scaffolds. Its thioxo functionality enhances reactivity in nucleophilic substitution and cyclization reactions, while the methyl group improves bench stability and facilitates purification. The compound functions effectively in multi-step syntheses of heterocyclic pharmacophores, particularly those requiring controlled amide/thioamide bioisosteric replacement.

Safety Information

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Computational Chemistry Data

  • TPSA   32.34
  • LogP   -0.6671
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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