Cas no 1003-45-8 (4,4-Dimethylthiolan-3-one)

4,4-Dimethylthiolan-3-one is a sulfur-containing heterocyclic compound characterized by a five-membered thiolane ring with two methyl groups at the 4-position and a ketone functionality at the 3-position. This structure imparts unique reactivity and stability, making it valuable in organic synthesis and pharmaceutical applications. Its rigid framework and sulfur atom enhance its utility as a building block for complex molecules, particularly in the development of flavor and fragrance compounds or bioactive intermediates. The compound's defined stereochemistry and functional group compatibility further support its use in selective transformations. High purity and consistent quality are critical for ensuring reproducibility in research and industrial processes.
4,4-Dimethylthiolan-3-one structure
4,4-Dimethylthiolan-3-one structure
Product Name:4,4-Dimethylthiolan-3-one
CAS No:1003-45-8
MF:C6H10OS
MW:130.208000659943
CID:2622892
PubChem ID:71352865
Update Time:2025-05-23

4,4-Dimethylthiolan-3-one Chemical and Physical Properties

Names and Identifiers

    • 4,4-Dimethylthiolan-3-one
    • AKOS026717723
    • 1003-45-8
    • DTXCID50728383
    • 4,4-dimethyldihydrothiophen-3(2H)-one
    • 3(2H)-Thiophenone, dihydro-4,4-dimethyl-
    • DTXSID60777640
    • EN300-7600730
    • F2147-5259
    • 897-917-9
    • Inchi: 1S/C6H10OS/c1-6(2)4-8-3-5(6)7/h3-4H2,1-2H3
    • InChI Key: QVNMAGJMTZCCED-UHFFFAOYSA-N
    • SMILES: S1CC(C(C)(C)C1)=O

Computed Properties

  • Exact Mass: 130.045236g/mol
  • Monoisotopic Mass: 130.045236g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 118
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 130.21g/mol
  • XLogP3: 1.4
  • Topological Polar Surface Area: 42.4?2

4,4-Dimethylthiolan-3-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-7600730-0.05g
4,4-dimethylthiolan-3-one
1003-45-8 95.0%
0.05g
$252.0 2025-02-24
Enamine
EN300-7600730-0.1g
4,4-dimethylthiolan-3-one
1003-45-8 95.0%
0.1g
$376.0 2025-02-24
Enamine
EN300-7600730-0.25g
4,4-dimethylthiolan-3-one
1003-45-8 95.0%
0.25g
$538.0 2025-02-24
Enamine
EN300-7600730-0.5g
4,4-dimethylthiolan-3-one
1003-45-8 95.0%
0.5g
$847.0 2025-02-24
Enamine
EN300-7600730-1.0g
4,4-dimethylthiolan-3-one
1003-45-8 95.0%
1.0g
$1086.0 2025-02-24
Enamine
EN300-7600730-2.5g
4,4-dimethylthiolan-3-one
1003-45-8 95.0%
2.5g
$2127.0 2025-02-24
Enamine
EN300-7600730-5.0g
4,4-dimethylthiolan-3-one
1003-45-8 95.0%
5.0g
$3147.0 2025-02-24
Enamine
EN300-7600730-10.0g
4,4-dimethylthiolan-3-one
1003-45-8 95.0%
10.0g
$4667.0 2025-02-24
Aaron
AR00027K-50mg
3(2H)-Thiophenone, dihydro-4,4-dimethyl-
1003-45-8 95%
50mg
$372.00 2025-02-13
Aaron
AR00027K-100mg
3(2H)-Thiophenone, dihydro-4,4-dimethyl-
1003-45-8 95%
100mg
$542.00 2025-02-13

Additional information on 4,4-Dimethylthiolan-3-one

4,4-Dimethylthiolan-3-one: A Comprehensive Overview

4,4-Dimethylthiolan-3-one, also known by its CAS registry number 1003-45-8, is a versatile organic compound that has garnered significant attention in both academic and industrial research. This compound belongs to the class of thiolanones, which are sulfur-containing heterocyclic compounds with a five-membered ring structure. The molecule's unique structure endows it with a range of interesting chemical properties, making it a valuable component in various applications across different industries.

The chemical structure of 4,4-Dimethylthiolan-3-one consists of a thiane (sulfur-containing analog of cyclopentane) ring with a ketone group at the 3-position and two methyl groups attached to the sulfur atom at the 4-position. This arrangement not only stabilizes the molecule but also contributes to its reactivity. Recent studies have highlighted the importance of this compound in medicinal chemistry, where its ability to act as a bioisostere for other functional groups has been exploited in drug design.

One of the most notable applications of 4,4-Dimethylthiolan-3-one is in the field of pharmaceuticals. Researchers have found that this compound can serve as a building block for synthesizing bioactive molecules with potential therapeutic effects. For instance, its use in the development of anti-inflammatory agents has shown promising results, particularly due to its ability to modulate key cellular pathways involved in inflammation.

In addition to its pharmaceutical applications, 4,4-Dimethylthiolan-3-one has also found utility in organic synthesis as an intermediate for constructing more complex molecules. Its sulfur atom plays a crucial role in facilitating various chemical transformations, such as nucleophilic additions and cyclizations. Recent advancements in catalytic methods have further enhanced its versatility, enabling the synthesis of intricate structures with high efficiency.

The physical properties of 4,4-Dimethylthiolan-3-one are equally intriguing. It exists as a crystalline solid at room temperature and exhibits moderate solubility in common organic solvents. Its melting point and boiling point are within ranges that make it suitable for both laboratory-scale experiments and large-scale industrial processes. The compound's stability under various conditions has also been extensively studied, with findings indicating that it remains stable under normal storage conditions but can undergo degradation under harsh thermal or oxidative environments.

From an environmental perspective, understanding the fate and behavior of 4,4-Dimethylthiolan-3-one in natural systems is crucial for assessing its potential impact on ecosystems. Recent studies have explored its biodegradation pathways and toxicity profiles, providing valuable insights into its environmental compatibility. These findings underscore the importance of responsible handling and disposal practices when working with this compound.

In conclusion, 4,4-Dimethylthiolan-3-one (CAS No. 1003-45-8) is a multifaceted compound with a wide range of applications across diverse fields. Its unique chemical properties, coupled with ongoing research into its potential uses, continue to expand its role in modern chemistry. As scientific understanding of this compound deepens, it is likely to play an even more significant role in driving innovation and discovery in the years to come.

Recommended suppliers
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Jiangsu Kolod Food Ingredients Co.,ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Kolod Food Ingredients Co.,ltd
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hubei Cuiyuan Biotechnology Co.,Ltd