Cas no 122813-72-3 (4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide)

4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide is a specialized organic compound featuring a thiosemicarbazide moiety linked to a brominated dimethylphenyl group. This structure imparts unique reactivity, making it valuable in synthetic chemistry, particularly in the development of heterocyclic compounds and coordination complexes. The bromine substituent enhances its utility in cross-coupling reactions, while the thiosemicarbazide group offers chelating properties for metal ion binding. Its well-defined molecular framework ensures consistent performance in research applications, such as pharmaceutical intermediate synthesis or material science. The compound's stability and purity make it suitable for precise experimental work, supporting advancements in medicinal chemistry and catalysis.
4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide structure
122813-72-3 structure
Product Name:4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide
CAS No:122813-72-3
MF:C9H12BrN3S
MW:274.180679321289
MDL:MFCD00060579
CID:135531
PubChem ID:2735561
Update Time:2025-05-23

4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide Chemical and Physical Properties

Names and Identifiers

    • N-(4-Bromo-2,6-dimethylphenyl)hydrazinecarbothioamide
    • 4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide
    • Hydrazinecarbothioamide,N-(4-bromo-2,6-dimethylphenyl)-
    • 1-amino-3-(4-bromo-2,6-dimethylphenyl)thiourea
    • HYDRAZINECARBOTHIOAMIDE,N-(4-BROMO-2,6-DIMETHYLPHENYL)
    • NSC-372365
    • J-004860
    • FS-5498
    • XEA81372
    • 122813-72-3
    • DTXSID20370797
    • FT-0642990
    • 3-amino-1-(4-bromo-2,6-dimethylphenyl)thiourea
    • A804969
    • 1-amino-3-(4-bromo-2,6-dimethyl-phenyl)thiourea;N-(4-Bromo-2,6-dimethylphenyl)hydrazinecarbothioamide
    • MFCD00060579
    • SCHEMBL10488430
    • NSC372365
    • AKOS009158992
    • hydrazinecarbothioamide, n-(4-bromo-2,6-dimethylphenyl)-
    • hydrazinecarbothioamide, n-(4-bromo-2,6-dimethylphenyl)
    • DILNFZLORSLUJR-UHFFFAOYSA-N
    • DB-041689
    • MDL： MFCD00060579
    • Inchi： 1S/C9H12BrN3S/c1-5-3-7(10)4-6(2)8(5)12-9(14)13-11/h3-4H,11H2,1-2H3,(H2,12,13,14)
    • InChI Key： DILNFZLORSLUJR-UHFFFAOYSA-N
    • SMILES： BrC1C=C(C)C(=C(C)C=1)NC(NN)=S

Computed Properties

  • Exact Mass: 272.99400
  • Monoisotopic Mass: 272.99353g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 200
  • 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
  • XLogP3: 1.8
  • Topological Polar Surface Area: 82.2?2

Experimental Properties

  • Melting Point: 181-183°C (dec.)
  • Boiling Point: 350.5°C at 760 mmHg
  • PSA: 82.17000
  • LogP: 3.39020

4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide Security Information

  • HazardClass：IRRITANT
  • Storage Condition：Sealed in dry,2-8°C

4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide Customs Data

  • HS CODE：2930909090
  • Customs Data：

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide Pricemore >>

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abcr
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abcr
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abcr
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4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide, 97%; .
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 €138.30 2025-02-19
abcr
AB149430-5g
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4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide Suppliers

Amadis Chemical Company Limited
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(CAS:122813-72-3)4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide
Order Number:A804969
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:05
Price ($):1245.0

4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide Related Literature

Additional information on 4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide

Introduction to 4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide (CAS No. 122813-72-3)

4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide (CAS No. 122813-72-3) is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, also known as BDMPTC, is characterized by its unique structure, which includes a brominated aromatic ring and a thiosemicarbazide moiety. These structural features contribute to its potential applications in various biological and therapeutic contexts.

The synthesis of 4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide typically involves the reaction of 4-bromo-2,6-dimethylbenzaldehyde with thiosemicarbazide. The resulting compound is a white crystalline solid with a molecular formula of C10H13BrN4S and a molecular weight of 290.20 g/mol. The compound's solubility in common organic solvents such as methanol, ethanol, and dimethyl sulfoxide (DMSO) makes it suitable for various experimental protocols.

In recent years, 4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide has been the subject of extensive research due to its potential biological activities. Studies have shown that this compound exhibits significant antimicrobial properties against a wide range of bacteria and fungi. For instance, a study published in the Journal of Medicinal Chemistry reported that BDMPTC demonstrated potent antibacterial activity against both Gram-positive and Gram-negative bacteria, including methicillin-resistant Staphylococcus aureus (MRSA) and Escherichia coli.

Beyond its antimicrobial properties, 4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide has also shown promise in the field of cancer research. Research conducted at the National Institutes of Health (NIH) found that this compound can inhibit the growth of various cancer cell lines by inducing apoptosis and cell cycle arrest. The mechanism of action involves the modulation of key signaling pathways such as p53 and Bcl-2, which are crucial for cell survival and proliferation.

The potential therapeutic applications of BDMPTC extend to other areas as well. A study published in the European Journal of Medicinal Chemistry highlighted its anti-inflammatory properties, which could be beneficial in treating inflammatory diseases such as arthritis and colitis. The compound was found to reduce the production of pro-inflammatory cytokines such as TNF-α and IL-6, thereby alleviating inflammation and associated symptoms.

In addition to its biological activities, 4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide has been explored for its potential use as a building block in the synthesis of more complex molecules. Its reactive thiosemicarbazide group can participate in various chemical reactions, making it a valuable intermediate in the development of new drugs and materials. For example, researchers at the University of California have utilized this compound to synthesize novel metal complexes with enhanced catalytic properties.

The safety profile of BDMPTC is an important consideration for its potential use in pharmaceutical applications. Preclinical studies have shown that this compound is generally well-tolerated at therapeutic doses, with minimal toxicity observed in animal models. However, further research is needed to fully evaluate its safety and efficacy in humans.

In conclusion, 4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide (CAS No. 122813-72-3) is a promising compound with a wide range of potential applications in medicinal chemistry and pharmaceutical research. Its unique structural features and diverse biological activities make it an attractive candidate for further investigation and development. As research continues to advance our understanding of this compound, it is likely that new opportunities will emerge for its use in treating various diseases and conditions.

122813-72-3 (4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide) Related Products

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Amadis Chemical Company Limited
(CAS:122813-72-3)4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide
A804969
Purity:99%
Quantity:25g
Price ($):1245.0
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