structure of 1-[(5-Bromo-2-methyl-4-methylsulfonyl)phenyl]piperazine

1-[(5-Bromo-2-methyl-4-methylsulfonyl)phenyl]piperazine

CAS No.: 1000018-35-8
M. Wt: 333.245
M. Fa: C12H17BrN2O2S
InChI Key: LQGLNCQPMBCRAE-UHFFFAOYSA-N

Names and Identifiers of 1000018-35-8

CAS Number

1000018-35-8

MDL Number

MFCD09264560

IUPAC Name

1-(5-bromo-2-methyl-4-methylsulfonylphenyl)piperazine

InChI

InChI=1S/C12H17BrN2O2S/c1-9-7-12(18(2,16)17)10(13)8-11(9)15-5-3-14-4-6-15/h7-8,14H,3-6H2,1-2H3

InChIKey

LQGLNCQPMBCRAE-UHFFFAOYSA-N

Canonical SMILES

CC1=CC(S(C)(=O)=O)=C(Br)C=C1N1CCNCC1

UNSPSC Code

12352100

Physical and chemical properties of 1000018-35-8

Boiling Point

529.3±50.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Exact Mass

332.019409

Flash Point

273.9±30.1 °C

Index of Refraction

1.574

LogP

0.74

Melting Point

121 - 122 ℃

Molecular Formula

C12H17BrN2O2S

Molecular Weight

333.245

Vapour Pressure

0.0±1.4 mmHg at 25°C

Safety Information of 1000018-35-8

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000018-35-8

1-[5-Bromo-2-methyl-4-(methylsulphonyl)phenyl]piperazine has potential applications in various fields:

  • Pharmaceutical Development: Its unique structure may lead to novel therapeutic agents targeting neurological disorders.
  • Chemical Research: It serves as an intermediate in synthesizing other biologically active compounds.
  • Material Science: Due to its specific chemical properties, it may find applications in developing new materials or coatings.

Interaction Studies of 1000018-35-8

Interaction studies involving 1-[5-Bromo-2-methyl-4-(methylsulphonyl)phenyl]piperazine are crucial for understanding its pharmacodynamics and pharmacokinetics. Preliminary studies suggest that this compound may interact with various neurotransmitter receptors, particularly those involved in mood regulation and cognitive function. Further research is needed to elucidate its binding affinities and mechanisms of action within biological systems.