Cas no 20069-28-7 (2-(pyrrolidine-1-carbothioylsulfanyl)acetic Acid)

2-(Pyrrolidine-1-carbothioylsulfanyl)acetic acid is a thiocarbonylthio compound widely utilized in reversible addition-fragmentation chain-transfer (RAFT) polymerization. Its pyrrolidine-based structure enhances reactivity and control over polymer molecular weight distributions, making it valuable for synthesizing well-defined polymers with narrow dispersity. The compound’s thiocarbonylthio group acts as an efficient chain-transfer agent, enabling precise modulation of polymerization kinetics. Its acetic acid moiety further improves solubility in polar solvents, facilitating applications in aqueous or protic media. This reagent is particularly advantageous for producing functionalized polymers with tailored architectures, such as block copolymers, while maintaining low polydispersity. Its stability and efficiency make it a preferred choice in advanced polymer chemistry research and industrial applications.
2-(pyrrolidine-1-carbothioylsulfanyl)acetic Acid structure
20069-28-7 structure
Product Name:2-(pyrrolidine-1-carbothioylsulfanyl)acetic Acid
CAS No:20069-28-7
MF:C7H11NO2S2
MW:205.297739267349
CID:843122
PubChem ID:257499
Update Time:2025-06-11

2-(pyrrolidine-1-carbothioylsulfanyl)acetic Acid Chemical and Physical Properties

Names and Identifiers

    • (PYRROLIDIN-1-YLCARBONOTHIOYL)THIO]ACETIC ACID
    • [(pyrrolidin-1-ylcarbonothioyl)thio]acetic acid
    • (Pyrrolidin-1-carbonyl)-(toluol-4-sulfonyl)-amin
    • (pyrrolidine-1-carbonyl)-(toluene-4-sulfonyl)-amine
    • (pyrrolidine-1-carbothioylsulfanyl)-acetic acid
    • 1-Pyrrolidinecarboxamide,N-((4-methylphenyl)sulfonyl)
    • n-[(4-methylphenyl)sulfonyl]p
    • N-p-Tolylsulfonyl-1-pyrrolidinecarboxamide
    • Pyrrolidinodithiokohlensaeure-carboxymethylester
    • pyrrolinyldithiocarbamylacetic acid
    • S-Carboxymethyl-pyrrolidin-N-carbodithioat
    • Tolpyrramide
    • 2-(pyrrolidine-1-carbothioylsulfanyl)acetic Acid
    • Inchi: 1S/C7H11NO2S2/c9-6(10)5-12-7(11)8-3-1-2-4-8/h1-5H2,(H,9,10)
    • InChI Key: IHGSPAKPEOTIGY-UHFFFAOYSA-N
    • SMILES: S(CC(=O)O)C(N1CCCC1)=S

Computed Properties

  • Exact Mass: 205.02300
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4

Experimental Properties

  • PSA: 97.93000
  • LogP: 1.12280

2-(pyrrolidine-1-carbothioylsulfanyl)acetic Acid Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(pyrrolidine-1-carbothioylsulfanyl)acetic Acid Pricemore >>

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Additional information on 2-(pyrrolidine-1-carbothioylsulfanyl)acetic Acid

Recent Advances in the Application of 2-(Pyrrolidine-1-carbothioylsulfanyl)acetic Acid (CAS: 20069-28-7) in Chemical Biology and Pharmaceutical Research

2-(Pyrrolidine-1-carbothioylsulfanyl)acetic Acid (CAS: 20069-28-7) has emerged as a versatile compound in chemical biology and pharmaceutical research due to its unique structural features and reactivity. Recent studies have highlighted its potential as a key intermediate in the synthesis of bioactive molecules, particularly in the development of novel therapeutic agents. This research brief aims to summarize the latest findings related to this compound, focusing on its applications in drug discovery, chemical biology, and material science.

One of the most significant advancements in the use of 2-(pyrrolidine-1-carbothioylsulfanyl)acetic Acid is its role as a reversible addition-fragmentation chain-transfer (RAFT) agent in polymer chemistry. A 2023 study published in the Journal of Polymer Science demonstrated its efficacy in controlling the polymerization of acrylamide derivatives, leading to the formation of well-defined polymers with narrow molecular weight distributions. This application is particularly relevant for the development of drug delivery systems, where precise control over polymer properties is crucial.

In the field of medicinal chemistry, researchers have explored the compound's potential as a building block for the synthesis of pyrrolidine-based inhibitors. A recent study in Bioorganic & Medicinal Chemistry Letters (2024) reported the successful incorporation of 2-(pyrrolidine-1-carbothioylsulfanyl)acetic Acid into novel protease inhibitors, showing promising activity against viral targets. The compound's ability to form stable thioester linkages has been leveraged to enhance the pharmacokinetic properties of these inhibitors.

Furthermore, the compound's unique chemical properties have been exploited in bioconjugation strategies. A 2024 publication in Chemical Communications detailed its use as a bifunctional linker for protein modification, enabling site-specific labeling of therapeutic antibodies. This approach has significant implications for the development of antibody-drug conjugates (ADCs), where precise control over drug loading is essential for maintaining therapeutic efficacy while minimizing off-target effects.

Recent computational studies have also shed light on the compound's molecular interactions. Density functional theory (DFT) calculations published in Physical Chemistry Chemical Physics (2023) revealed insights into the compound's conformational preferences and electronic structure, providing a theoretical foundation for its observed reactivity in various chemical transformations. These findings are particularly valuable for rational drug design efforts involving this scaffold.

From a safety and regulatory perspective, recent toxicological assessments of 2-(pyrrolidine-1-carbothioylsulfanyl)acetic Acid have been conducted to evaluate its potential for pharmaceutical applications. A 2024 report in Regulatory Toxicology and Pharmacology concluded that the compound exhibits a favorable safety profile at concentrations relevant for medicinal chemistry applications, though further studies are recommended to fully characterize its long-term effects.

In conclusion, the growing body of research on 2-(pyrrolidine-1-carbothioylsulfanyl)acetic Acid (CAS: 20069-28-7) demonstrates its multifaceted utility in chemical biology and pharmaceutical research. Its applications span from polymer chemistry to drug discovery and bioconjugation, supported by both experimental and computational studies. As research continues to uncover new applications for this versatile compound, it is expected to play an increasingly important role in the development of next-generation therapeutics and biomaterials.

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