![1-[2-(4-Chlorophenyl)ethanethioyl]-4-methylpiperazine structure](/static/products/1592/159298-83-6.webp)
1-[2-(4-Chlorophenyl)ethanethioyl]-4-methylpiperazine
TL;DR: 1-[2-(4-Chlorophenyl)ethanethioyl]-4-methylpiperazine (CAS 159298-83-6) is a chemical compound with molecular formula C13H17ClN2S and molecular weight 268.0801 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)ethanethione
Also Known As: 1-[2-(4-Chlorophenyl)ethanethioyl]-4-methylpiperazine, 2-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)ethanethione, 2-(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)ethane-1-thione, 1-(4-Methylpiperazin-1-yl)-2-(4-chlorophenyl)ethanethione, 1-[2-(4-Chlorophenyl)ethanethioyl]-4-methylpiperazine #
Technical Specifications
| Molecular Formula | C13H17ClN2S |
| Molecular Weight | 268.0801 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 38.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.0801 Da |
| Heavy Atoms | 17 |
| Complexity | 256.0 |
| SMILES | CN1CCN(CC1)C(=S)CC2=CC=C(C=C2)Cl |
| InChIKey | XOWUCQOFMKHAOW-UHFFFAOYSA-N |
Chemical Property Profile of 1-[2-(4-Chlorophenyl)ethanethioyl]-4-methylpiperazine
Property Insights of 1-[2-(4-Chlorophenyl)ethanethioyl]-4-methylpiperazine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(4-Chlorophenyl)ethanethioyl]-4-methylpiperazine. With a topological polar surface area (TPSA) of 38.6 Ų, 1-[2-(4-Chlorophenyl)ethanethioyl]-4-methylpiperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(4-Chlorophenyl)ethanethioyl]-4-methylpiperazine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-[2-(4-Chlorophenyl)ethanethioyl]-4-methylpiperazine?
The CAS number of 1-[2-(4-Chlorophenyl)ethanethioyl]-4-methylpiperazine is 159298-83-6.
What is the molecular formula of 1-[2-(4-Chlorophenyl)ethanethioyl]-4-methylpiperazine?
The molecular formula of 1-[2-(4-Chlorophenyl)ethanethioyl]-4-methylpiperazine is C13H17ClN2S.
What is the molecular weight of 1-[2-(4-Chlorophenyl)ethanethioyl]-4-methylpiperazine?
The molecular weight of 1-[2-(4-Chlorophenyl)ethanethioyl]-4-methylpiperazine is 268.0801 g/mol.
Where can I buy 1-[2-(4-Chlorophenyl)ethanethioyl]-4-methylpiperazine?
You can request a quote for 1-[2-(4-Chlorophenyl)ethanethioyl]-4-methylpiperazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[2-(4-Chlorophenyl)ethanethioyl]-4-methylpiperazine?
Yes, CoreyChem provides custom synthesis services for 1-[2-(4-Chlorophenyl)ethanethioyl]-4-methylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.