Cas no 313223-16-4 (L-Alanine,3-[(1,1-dimethylethyl)dithio]-, monohydrate (9CI))

L-Alanine, 3-[(1,1-dimethylethyl)dithio]-, monohydrate (9CI) is a specialized organosulfur derivative of L-alanine, featuring a tert-butyl dithio moiety. This compound is of interest in synthetic and medicinal chemistry due to its potential as a building block for peptide modification or as a precursor in the development of sulfur-containing bioactive molecules. The monohydrate form ensures enhanced stability and handling properties. Its chiral center and dithio functional group make it valuable for studying stereoselective reactions or designing enzyme inhibitors. The tert-butyl dithio group may also confer unique reactivity in radical or nucleophilic substitution processes. Suitable for controlled experimental applications requiring structurally modified amino acids.
L-Alanine,3-[(1,1-dimethylethyl)dithio]-, monohydrate (9CI) structure
313223-16-4 structure
Product Name:L-Alanine,3-[(1,1-dimethylethyl)dithio]-, monohydrate (9CI)
CAS No:313223-16-4
MF:C7H17NO3S2
MW:227.344779729843
CID:300934
PubChem ID:329752398
Update Time:2025-11-02

L-Alanine,3-[(1,1-dimethylethyl)dithio]-, monohydrate (9CI) Chemical and Physical Properties

Names and Identifiers

    • L-Alanine,3-[(1,1-dimethylethyl)dithio]-, monohydrate (9CI)
    • (2R)-2-amino-3-(tert-butyldisulfanyl)propanoic acid,hydrate
    • 3-(tert-butyldisulfanyl)-L-alanine hydrate
    • 3-(tert-Butyldithio)-L-alanine
    • (R)-2-Amino-3-(tert-butyldisulfanyl)propanoic acid hydrate
    • 313223-16-4
    • (2R)-2-amino-3-(tert-butyldisulfanyl)propanoic acid;hydrate
    • SCHEMBL6741667
    • (R)-2-Amino-3-(tert-butyldisulfanyl)propanoicacidhydrate
    • S-(TERT-BUTYLTHIO)-L-CYSTEINE, 98%
    • AKOS030524291
    • MDL: MFCD00002609
    • Inchi: 1S/C7H15NO2S2.H2O/c1-7(2,3)12-11-4-5(8)6(9)10;/h5H,4,8H2,1-3H3,(H,9,10);1H2/t5-;/m0./s1
    • InChI Key: QXDVUJRRINMQAM-JEDNCBNOSA-N
    • SMILES: S(C(C)(C)C)SC[C@@H](C(=O)O)N.O

Computed Properties

  • Exact Mass: 227.06511
  • Monoisotopic Mass: 227.06498575g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 5
  • Complexity: 156
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 115?2

Experimental Properties

  • Color/Form: Pale yellow powder
  • Melting Point: 177?°C (dec.) (lit.)
  • PSA: 94.82
  • Solubility: Not determined
  • Optical Activity: [α]21/D ?82°, c =?2 in 1 M HCl

L-Alanine,3-[(1,1-dimethylethyl)dithio]-, monohydrate (9CI) Security Information

L-Alanine,3-[(1,1-dimethylethyl)dithio]-, monohydrate (9CI) Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
SA02893-5g
(R)-2-Amino-3-(tert-butyldisulfanyl)propanoic acid hydrate
313223-16-4
5g
¥1338.0 2021-09-04
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1733017-5g
s-(tert-Butylthio)-l-cysteine hydrate
313223-16-4 98%
5g
¥1281.00 2024-08-02

Additional information on L-Alanine,3-[(1,1-dimethylethyl)dithio]-, monohydrate (9CI)

Comprehensive Guide to L-Alanine,3-[(1,1-dimethylethyl)dithio]-, monohydrate (9CI) (CAS No. 313223-16-4)

L-Alanine,3-[(1,1-dimethylethyl)dithio]-, monohydrate (9CI), with the CAS number 313223-16-4, is a specialized organic compound that has garnered significant attention in biochemical and pharmaceutical research. This compound, often referred to as a modified amino acid derivative, is structurally characterized by the presence of a dithio group attached to a tert-butyl moiety, which enhances its stability and reactivity in various applications. Its monohydrate form ensures better solubility and handling in laboratory settings, making it a valuable reagent in synthetic chemistry.

The unique structure of L-Alanine,3-[(1,1-dimethylethyl)dithio]-, monohydrate (9CI) lends itself to a wide range of applications, particularly in the field of peptide synthesis and enzyme inhibition studies. Researchers have explored its potential as a protective group for amino acids during peptide bond formation, where its dithio functionality can be selectively removed under mild conditions. Additionally, its ability to modulate enzyme activity has made it a subject of interest in drug discovery and biochemical assays, where precise control over molecular interactions is crucial.

In recent years, the demand for customized amino acid derivatives like L-Alanine,3-[(1,1-dimethylethyl)dithio]-, monohydrate (9CI) has surged, driven by advancements in bioconjugation techniques and targeted drug delivery systems. This compound's compatibility with click chemistry and other modern synthetic methodologies has positioned it as a versatile building block for designing novel biomolecules. Its role in proteomics research and biomarker development further underscores its importance in contemporary scientific endeavors.

From a commercial perspective, L-Alanine,3-[(1,1-dimethylethyl)dithio]-, monohydrate (9CI) is available through specialized chemical suppliers who cater to the needs of academic and industrial researchers. The compound's high purity and consistent quality are critical for reproducible experimental results, and suppliers often provide detailed analytical certificates to ensure compliance with research standards. As the focus on sustainable chemistry grows, manufacturers are also exploring greener synthesis routes for this and similar compounds to minimize environmental impact.

The safety profile of L-Alanine,3-[(1,1-dimethylethyl)dithio]-, monohydrate (9CI) is well-documented, with standard laboratory precautions sufficing for its handling. It is typically stored under controlled conditions to maintain stability, and its non-hazardous nature makes it accessible to a broad range of researchers. For those working with this compound, understanding its spectroscopic properties (such as NMR and IR data) is essential for accurate identification and application in complex reactions.

Looking ahead, the potential applications of L-Alanine,3-[(1,1-dimethylethyl)dithio]-, monohydrate (9CI) are expected to expand, particularly in areas like biocatalysis and materials science. Its ability to interface with biological systems while retaining synthetic flexibility makes it a promising candidate for developing smart materials and bioactive surfaces. As research continues to uncover new facets of its reactivity, this compound is poised to play a pivotal role in bridging the gap between organic chemistry and biological innovation.

For researchers seeking to explore the capabilities of L-Alanine,3-[(1,1-dimethylethyl)dithio]-, monohydrate (9CI), it is advisable to consult recent literature on its synthetic utility and to collaborate with suppliers who can provide tailored solutions for specific experimental needs. The compound's versatility and growing relevance in cutting-edge science make it a valuable asset for anyone engaged in molecular design or chemical biology.

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