CAS 1394041-75-8

[(3-Bromobutyl)thio]benzene

Description:

[(3-Bromobutyl)thio]benzene is an organic compound characterized by the presence of a benzene ring substituted with a thioether group and a bromobutyl chain. The thioether functional group, which contains a sulfur atom bonded to an alkyl group, contributes to the compound's reactivity and potential applications in organic synthesis. The bromobutyl moiety introduces a halogen, which can participate in nucleophilic substitution reactions, making the compound useful in various chemical transformations. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. Its molecular structure suggests moderate polarity, which may influence its solubility in organic solvents. The presence of both sulfur and bromine atoms indicates potential for further functionalization, making it a valuable intermediate in the synthesis of more complex molecules. Safety precautions should be observed when handling this compound, as it may exhibit toxicity or irritant properties typical of halogenated organic compounds.

Formula: C₁₀H₁₃BrS

InChI: InChI=1S/C10H13BrS/c1-9(11)7-8-12-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3

InChI key: InChIKey=OSLOPHWGPPAUMM-UHFFFAOYSA-N

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

Synonyms:

• Benzene, [(3-bromobutyl)thio]-
• [(3-Bromobutyl)thio]benzene

[(3-Bromobutyl)sulfanyl]benzene

CAS: 1394041-75-8

Versatile small molecule scaffold

Formula: C₁₀H₁₃BrS

Purity: Min. 95%

Molecular weight: 245.18 g/mol

Ref: 3D-UFC04175