1-(2-(p-Tolylthio)phenyl)piperazine
TL;DR: 1-(2-(p-Tolylthio)phenyl)piperazine (CAS 508233-82-7) is a chemical compound with molecular formula C17H20N2S and molecular weight 284.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-methylphenyl)sulfanylphenyl]piperazine
Also Known As: Vortioxetine Impurity 3, Vortioxetine Impurity I, 1-(2-(p-Tolylthio)phenyl)piperazine, 1-[2-(4-methylphenyl)sulfanylphenyl]piperazine
| Molecular Formula | C17H20N2S |
|---|---|
| Molecular Weight | 284.13 g/mol |
| LogP | 3.55582 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.1347 |
| Heavy Atoms | 20 |
| Complexity | 559.45764 |
Chemical Identifiers
| CAS Number | 508233-82-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=CC=CC=C2N3CCNCC3 |
Product Overview
1-(2-(p-Tolylthio)phenyl)piperazine (CAS 508233-82-7), with molecular formula C17H20N2S and molecular weight 284.13 g/mol. IUPAC: 1-[2-(4-methylphenyl)sulfanylphenyl]piperazine.
Chemical Property Profile of 1-(2-(p-Tolylthio)phenyl)piperazine
Property Insights of 1-(2-(p-Tolylthio)phenyl)piperazine
The XLogP value of 3.55582 indicates that 1-(2-(p-Tolylthio)phenyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.27 Ų, 1-(2-(p-Tolylthio)phenyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-(p-Tolylthio)phenyl)piperazine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-(p-Tolylthio)phenyl)piperazine?
The CAS number of 1-(2-(p-Tolylthio)phenyl)piperazine is 508233-82-7.
What is the molecular formula of 1-(2-(p-Tolylthio)phenyl)piperazine?
The molecular formula of 1-(2-(p-Tolylthio)phenyl)piperazine is C17H20N2S.
What is the molecular weight of 1-(2-(p-Tolylthio)phenyl)piperazine?
The molecular weight of 1-(2-(p-Tolylthio)phenyl)piperazine is 284.13 g/mol.
Where can I buy 1-(2-(p-Tolylthio)phenyl)piperazine?
You can request a quote for 1-(2-(p-Tolylthio)phenyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(p-Tolylthio)phenyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(p-Tolylthio)phenyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.