Cas no 1000576-47-5 ((3-Bromophenyl)(cyclopropylmethyl)sulfane)

(3-Bromophenyl)(cyclopropylmethyl)sulfane is a versatile organic compound characterized by its brominated phenyl ring and cyclopropylmethyl substituent. This compound exhibits high stability and reactivity, making it suitable for various synthetic applications. Its unique structure contributes to its excellent solubility in organic solvents, facilitating efficient reactions. The presence of the bromine atom and the cyclopropylmethyl group provides opportunities for further functionalization, offering a broad scope for chemical transformations.
(3-Bromophenyl)(cyclopropylmethyl)sulfane structure
1000576-47-5 structure
Product Name:(3-Bromophenyl)(cyclopropylmethyl)sulfane
CAS No:1000576-47-5
MF:C10H11BrS
MW:243.163340806961
MDL:MFCD09870070
CID:857963
PubChem ID:26599254
Update Time:2025-07-18

(3-Bromophenyl)(cyclopropylmethyl)sulfane Chemical and Physical Properties

Names and Identifiers

    • 1-bromo-3-(cyclopropylmethylsulfanyl)benzene
    • (3-BROMOPHENYL)(CYCLOPROPYLMETHYL)SULFANE
    • 1-Bromo-3-(cyclopropylmethyl)thiobenzene
    • ACMC-2097mc
    • AG-L-20011
    • ANW-14146
    • CTK3J8467
    • MolPort-000-139-789
    • SY318758
    • 1000576-47-5
    • MFCD09870070
    • G62867
    • W-204331
    • DTXSID30650259
    • BS-18997
    • J-504410
    • AKOS015835440
    • DB-309873
    • 1-Bromo-3-(cyclopropylmethyl)thiobenzene, AldrichCPR
    • Benzene, 1-bromo-3-[(cyclopropylmethyl)thio]-
    • CS-0205662
    • 1-bromo-3-[(cyclopropylmethyl)sulfanyl]benzene
    • (3-Bromophenyl)(cyclopropylmethyl)sulfane
    • MDL: MFCD09870070
    • Inchi: 1S/C10H11BrS/c11-9-2-1-3-10(6-9)12-7-8-4-5-8/h1-3,6,8H,4-5,7H2
    • InChI Key: BIDNDPBMKWOGQG-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(=C1)SCC1CC1

Computed Properties

  • Exact Mass: 241.97648g/mol
  • Monoisotopic Mass: 241.97648g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 145
  • 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: 3.9
  • Topological Polar Surface Area: 25.3?2

Experimental Properties

  • Density: 1.47±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Almost insoluble (0.017 g/l) (25 o C),

(3-Bromophenyl)(cyclopropylmethyl)sulfane Security Information

  • Hazardous Material transportation number:UN 2810 6.1 / PGIII
  • Hazard Category Code: R25
  • Safety Instruction: S45
  • Hazardous Material Identification: T

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(3-Bromophenyl)(cyclopropylmethyl)sulfane Related Literature

Additional information on (3-Bromophenyl)(cyclopropylmethyl)sulfane

(3-Bromophenyl)(cyclopropylmethyl)sulfane (CAS No. 1000576-47-5): An Overview of a Versatile Sulfur Compound

(3-Bromophenyl)(cyclopropylmethyl)sulfane (CAS No. 1000576-47-5) is a sulfur-containing organic compound that has garnered significant attention in recent years due to its unique chemical properties and potential applications in various fields, including pharmaceuticals, materials science, and synthetic chemistry. This compound is characterized by its 3-bromophenyl and cyclopropylmethyl substituents, which confer it with a range of interesting reactivity profiles and functional versatility.

The molecular structure of (3-Bromophenyl)(cyclopropylmethyl)sulfane consists of a sulfur atom bonded to a 3-bromophenyl group and a cyclopropylmethyl group. The presence of the bromine atom in the phenyl ring provides a useful handle for further chemical modifications, making this compound an attractive starting material for the synthesis of more complex molecules. Additionally, the cyclopropylmethyl group introduces steric hindrance and unique electronic properties, which can influence the compound's reactivity and stability.

In the realm of pharmaceutical research, (3-Bromophenyl)(cyclopropylmethyl)sulfane has shown promise as a building block for the development of novel therapeutic agents. Recent studies have explored its potential as an intermediate in the synthesis of drugs targeting various diseases, including cancer, neurodegenerative disorders, and infectious diseases. For instance, researchers at the University of California have utilized this compound to synthesize derivatives with potent anticancer activity against multiple cancer cell lines. The bromine substituent allows for facile functionalization through various reactions such as Suzuki coupling and nucleophilic substitution, enabling the creation of diverse molecular scaffolds with tailored biological activities.

Beyond pharmaceutical applications, (3-Bromophenyl)(cyclopropylmethyl)sulfane has also found utility in materials science. Its unique combination of aromatic and aliphatic functionalities makes it suitable for the synthesis of advanced materials with specific properties. For example, scientists at the Massachusetts Institute of Technology (MIT) have used this compound to develop novel polymers with enhanced mechanical strength and thermal stability. These polymers have potential applications in areas such as electronics, coatings, and adhesives.

In synthetic chemistry, the versatility of (3-Bromophenyl)(cyclopropylmethyl)sulfane has been leveraged to explore new reaction pathways and catalytic systems. Researchers at Stanford University have reported the use of this compound in palladium-catalyzed cross-coupling reactions to produce a wide range of functionalized sulfides with high regioselectivity and yield. The cyclopropylmethyl group plays a crucial role in these reactions by influencing the reactivity and selectivity of the sulfur center.

The physical properties of (3-Bromophenyl)(cyclopropylmethyl)sulfane

Safety considerations are an important aspect when working with any chemical compound. While (3-Bromophenyl)(cyclopropylmethyl)sulfane

In conclusion, (3-Bromophenyl)(cyclopropylmethyl)sulfane (CAS No. 1000576-47-5) is a versatile sulfur-containing organic compound with significant potential in pharmaceuticals, materials science, and synthetic chemistry. Its unique combination of functional groups provides a platform for further chemical modifications and applications across multiple disciplines. As research continues to advance, it is likely that new uses for this compound will be discovered, further solidifying its importance in the scientific community.

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