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(3,5-dimethylisoxazol-4-yl)methanethiol is a chemical compound with the molecular formula C6H9NOS. It is a thiol derivative of isoxazole, a five-membered heterocyclic compound containing an oxygen and a nitrogen atom in the ring. (3,5-dimethylisoxazol-4-yl)methanethiol is known for its unique reactivity, functional properties, and distinctive odor.

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  • 146796-45-4 Structure
  • Basic information

    1. Product Name: (3,5-DIMETHYLISOXAZOL-4-YL)METHANETHIOL
    2. Synonyms: (3,5-DIMETHYLISOXAZOL-4-YL)METHANETHIOL
    3. CAS NO:146796-45-4
    4. Molecular Formula: C6H9NOS
    5. Molecular Weight: 143.21
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 146796-45-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: (3,5-DIMETHYLISOXAZOL-4-YL)METHANETHIOL(CAS DataBase Reference)
    10. NIST Chemistry Reference: (3,5-DIMETHYLISOXAZOL-4-YL)METHANETHIOL(146796-45-4)
    11. EPA Substance Registry System: (3,5-DIMETHYLISOXAZOL-4-YL)METHANETHIOL(146796-45-4)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 146796-45-4(Hazardous Substances Data)

146796-45-4 Usage

Uses

Used in Organic Synthesis:
(3,5-dimethylisoxazol-4-yl)methanethiol is used as a reagent in organic synthesis for its unique reactivity and functional properties, contributing to the formation of various complex organic molecules.
Used in Pharmaceutical Research:
In pharmaceutical research, (3,5-dimethylisoxazol-4-yl)methanethiol is utilized as a building block for the development of new drugs, owing to its potential to modulate cellular signaling pathways and its biological activities.
Used in Fragrance and Flavor Production:
(3,5-dimethylisoxazol-4-yl)methanethiol is used as a key component in the production of certain fragrances and flavors due to its distinctive odor, adding unique scents and tastes to various products.
Used in Antibacterial Applications:
(3,5-dimethylisoxazol-4-yl)methanethiol has been studied for its potential antibacterial properties, making it a candidate for use in applications that require antimicrobial effects, such as in the development of new antibiotics or disinfectants.

Check Digit Verification of cas no

The CAS Registry Mumber 146796-45-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,4,6,7,9 and 6 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 146796-45:
(8*1)+(7*4)+(6*6)+(5*7)+(4*9)+(3*6)+(2*4)+(1*5)=174
174 % 10 = 4
So 146796-45-4 is a valid CAS Registry Number.

146796-45-4Relevant articles and documents

Small Molecule Antagonists of the Nuclear Androgen Receptor for the Treatment of Castration-Resistant Prostate Cancer

Johnson, James K.,Skoda, Erin M.,Zhou, Jianhua,Parrinello, Erica,Wang, Dan,O'Malley, Katherine,Eyer, Benjamin R.,Kazancioglu, Mustafa,Eisermann, Kurtis,Johnston, Paul A.,Nelson, Joel B.,Wang, Zhou,Wipf, Peter

, p. 785 - 790 (2016/08/24)

After a high-throughput screening campaign identified thioether 1 as an antagonist of the nuclear androgen receptor, a zone model was developed for structure-activity relationship (SAR) purposes and analogues were synthesized and evaluated in a cell-based luciferase assay. A novel thioether isostere, cyclopropane (1S,2R)-27, showed the desired increased potency and structural properties (stereospecific SAR response, absence of a readily oxidized sulfur atom, low molecular weight, reduced number of flexible bonds and polar surface area, and drug-likeness score) in the prostate-specific antigen luciferase assay in C4-2-PSA-rl cells to qualify as a new lead structure for prostate cancer drug development.

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