CAS 104-95-0

4-Bromothioanisole

Description:

4-Bromothioanisole, with the CAS number 104-95-0, is an organic compound characterized by the presence of a bromine atom and a thioether functional group attached to a methoxybenzene (anisole) structure. It appears as a colorless to pale yellow liquid with a distinctive odor. The compound is known for its moderate solubility in organic solvents and limited solubility in water, which is typical for many thioethers. Its molecular formula is C8H9BrS, indicating the presence of carbon, hydrogen, bromine, and sulfur atoms. 4-Bromothioanisole is often utilized in organic synthesis, particularly in the preparation of various pharmaceuticals and agrochemicals, due to its reactivity and ability to participate in nucleophilic substitution reactions. Additionally, it may exhibit biological activity, making it of interest in medicinal chemistry. As with many brominated compounds, it is important to handle 4-bromothioanisole with care, as it may pose environmental and health risks if not managed properly.

Formula: C₇H₇BrS

InChI: InChI=1/C7H7BrS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3

InChI key: InChIKey=YEUYZNNBXLMFCW-UHFFFAOYSA-N

SMILES: S(C)C1=CC=C(Br)C=C1

Synonyms:

• (4-Bromophenyl)(methyl)sulfane
• 1-Bromo-4-(Methylsulfanyl)Benzene
• 1-Bromo-4-(methylthio)benzene
• 4-(Methylthio)-1-bromobenzene
• 4-(Methylthio)bromobenzene
• 4-Bromo-1-(methylthio)benzene
• 4-Bromophenyl methyl sulfide
• 4-Bromophenyl methyl sulphide
• 4-Methylthiophenyl bromide
• Benzene, 1-bromo-4-(methylthio)-
• Methyl 4-bromophenyl sulfide
• Methyl p-bromophenyl sulfide
• NSC 73383
• Sulfide, p-bromophenyl methyl
• p-(Methylthio)phenyl bromide
• p-Bromo(methylthio)benzene
• p-Bromophenyl methyl sulfide
• p-Bromothioanisole
• 4-Bromothioanisole
• Methyl 4-bromophenylsulfide
• 4-BROMOTHIOANISOLE 98%
• P-BROMO THIOANISOLE
• 4-BROMOTHIOANISOLE/4-BROMOPHENYL METHYL SULPHIDE
• 4-Bromothioanisole, 98+%
• 4-Bromo(methylthio)benzene
• 4-Bromo

4-Bromothioanisole

CAS: 104-95-0

Formula: C₇H₇BrS

Purity: >99.0%(GC)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 203.10

Ref: 3B-B2024

4-Bromothioanisole, 98+%

CAS: 104-95-0

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₇H₇BrS

Purity: 98+%

Color and Shape: White to pale cream or pale yellow, Crystals or powder or crystalline powder or fused or granular solid

Molecular weight: 203.11

Ref: 02-A15504

Benzene, 1-​bromo-​4-​(methylthio)​-

CAS: 104-95-0

Formula: C₇H₇BrS

Purity: 98%

Color and Shape: Solid

Molecular weight: 203.0995

Ref: IN-DA003L18

4-Bromothioanisole

CAS: 104-95-0

Formula: C₇H₇BrS

Purity: 99.00%

Color and Shape: Solid, Chunks or Crystalline Powder

Molecular weight: 203.1

Ref: 10-F003696

4-Bromothioanisole

CAS: 104-95-0

4-Bromothioanisole

Formula: C₇H₇BrS

Purity: ≥95%

Color and Shape: white crystalline solid

Molecular weight: 203.10g/mol

Ref: 54-OR10389

4-Bromothioanisole

CAS: 104-95-0

4-Bromothioanisole is a sulfoxide that inhibits the activity of Cox-2, which is the inflammatory enzyme that causes pain. It is also a potent inhibitor of the enzyme thioesterase, which breaks down fatty acids and sulfoxides. 4-Bromothioanisole has been shown to inhibit pro-inflammatory cytokines and chemokines in macrophages. This compound is covalently immobilized at an ester linkage to polyethylene glycols, which prevents its decomposition by reducing agents. The molecular modeling study suggests that 4-bromothioanisole binds to the active site of Cox-2 with high affinity and selectivity.

Formula: C₇H₇BrS

Purity: Min. 98 Area-%

Color and Shape: White Powder

Molecular weight: 203.1 g/mol

Ref: 3D-FB00139