1-{2-[(2,4-Dimethylphenyl)sulfanyl]phenyl}piperazine

Basic Information

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CAS Number

508233-74-7

Molecular Formula

C18H22N2S

Molecular Weight

298.46 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Density

1.16

SMILES

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Cc1ccc(Sc2ccccc2N3CCNCC3)c(C)c1

InChI

InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3

InChIKey

YQNWZWMKLDQSAC-UHFFFAOYSA-N

LogP

3.8642400000000023

Topological Polar Surface Area

15.27 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

316

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Vortioxetine
Trintellix (vortioxetine)
Vortioxetine(Lu AA21004)
1-(2-((2,4-DIMETHYLPHENYL)THIO)PHENYL)PIPERAZINE-HCL
Vortioxetin
1-[2-(2,4-Dimethylphenylsulfanyl)phenyl]piperazine
Lu AA 21004
Vortioxetine 1-(2-((2,4-Dimethylphenyl)thio)phenyl)piperazine
1-(2-((2,4-Dimethylphenyl)thio)phenyl)piperazine
1-(2-(2,4-dimethylphenylthio)phenyl)piperazine （Vortioxetine）
[14C]-Vortioxetine
1-(2-((2,4-Dimethylphenyl)sulfanyl)phenyl}piperazine
1-[2-(2,4-dimethylphenylsulfanyl)-phenyl]piperazine
1-{2-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazine
CHEBI:76016
Piperazine, 1-(2-((2,4-dimethylphenyl)thio)phenyl)-
UNII-3O2K1S3WQV
Vortioxetine (USAN)
Vortioxetine [USAN]
Vortioxetine iMpurity
Brintellix
Lu AA21004
3O2K1S3WQV
Trintellix
1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine
Piperazine, 1-[2-[(2,4-dimethylphenyl)thio]phenyl]-
Brintellix (TN)
1-[2-(2,4-dimethyl-phenylsulfanyl)-phenyl]-piperazine
1-[2-[(2,4-Dimethylphenyl)thio]phenyl]piperazine
1-(2-((2,4-Dim
1-(2-((2,4-dimethylphenyl)thio)phenyl)piperazine

MDL Number

MFCD22380814

FAQ

What is 1-{2-[(2,4-Dimethylphenyl)sulfanyl]phenyl}piperazine (CAS: 508233-74-7)?

1-{2-[(2,4-Dimethylphenyl)sulfanyl]phenyl}piperazine (CAS: 508233-74-7) is a piperazine derivative with a sulfanyl group linking two phenyl rings, one substituted with 2,4-dimethyl groups. It exhibits solubility in organic solvents and is commonly used as a pharmaceutical intermediate. The compound's chemical structure features a heterocyclic piperazine ring connected to a sulfide-containing aromatic group, making it relevant in drug development and research applications.

What are the main uses of 1-{2-[(2,4-Dimethylphenyl)sulfanyl]phenyl}piperazine (CAS: 508233-74-7)?

1-{2-[(2,4-Dimethylphenyl)sulfanyl]phenyl}piperazine (CAS: 508233-74-7) is primarily used in pharmaceutical research as a potential therapeutic agent, particularly for central nervous system (CNS) disorders. It serves as an intermediate in the synthesis of drugs targeting neurological and cardiovascular conditions. Additionally, it may find applications in agrochemicals and materials science due to its chemical versatility.

Is 1-{2-[(2,4-Dimethylphenyl)sulfanyl]phenyl}piperazine (CAS: 508233-74-7) safe?

1-{2-[(2,4-Dimethylphenyl)sulfanyl]phenyl}piperazine (CAS: 508233-74-7) requires careful handling due to its potential toxicity via inhalation or ingestion. Safety precautions include using personal protective equipment (PPE) and working in a well-ventilated area. It adheres to standard chemical safety protocols, and safety data sheets (SDS) should be consulted for detailed handling and disposal guidelines.

How should 1-{2-[(2,4-Dimethylphenyl)sulfanyl]phenyl}piperazine (CAS: 508233-74-7) be stored?

1-{2-[(2,4-Dimethylphenyl)sulfanyl]phenyl}piperazine (CAS: 508233-74-7) should be stored in a cool, dry place away from light. Maintain storage at temperatures below 25°C and ensure humidity levels are low to prevent degradation. Use airtight containers made of glass or high-density polyethylene (HDPE) to maintain stability and avoid contamination.