(4-Chlorophenyl)(4-ethylpiperazin-1-yl)methanethione
TL;DR: (4-Chlorophenyl)(4-ethylpiperazin-1-yl)methanethione (CAS 690991-45-8) is a chemical compound with molecular formula C13H17ClN2S and molecular weight 268.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methanethione
Also Known As: (4-chlorophenyl)(4-ethylpiperazin-1-yl)methanethione, 1-[(4-chlorophenyl)carbonothioyl]-4-ethylpiperazine, (4-chlorophenyl)-(4-ethylpiperazin-1-yl)methanethione, (4-chlorophenyl)-(4-ethylpiperazino)methanethione, (4-chlorophenyl)-(4-ethyl-1-piperazinyl)methanethione
| Molecular Formula | C13H17ClN2S |
|---|---|
| Molecular Weight | 268.08 g/mol |
| LogP | 2.653 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.0801 |
| Heavy Atoms | 17 |
| Complexity | 382.91086 |
Chemical Identifiers
| CAS Number | 690991-45-8 |
|---|---|
| SMILES | CCN1CCN(CC1)C(=S)C2=CC=C(C=C2)Cl |
Product Overview
(4-Chlorophenyl)(4-ethylpiperazin-1-yl)methanethione (CAS 690991-45-8), with molecular formula C13H17ClN2S and molecular weight 268.08 g/mol. IUPAC: (4-chlorophenyl)-(4-ethylpiperazin-1-yl)methanethione.
Chemical Property Profile of (4-Chlorophenyl)(4-ethylpiperazin-1-yl)methanethione
Property Insights of (4-Chlorophenyl)(4-ethylpiperazin-1-yl)methanethione
The XLogP value of 2.653 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Chlorophenyl)(4-ethylpiperazin-1-yl)methanethione. With a topological polar surface area (TPSA) of 6.48 Ų, (4-Chlorophenyl)(4-ethylpiperazin-1-yl)methanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chlorophenyl)(4-ethylpiperazin-1-yl)methanethione 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
Frequently Asked Questions
What is the CAS number of (4-Chlorophenyl)(4-ethylpiperazin-1-yl)methanethione?
The CAS number of (4-Chlorophenyl)(4-ethylpiperazin-1-yl)methanethione is 690991-45-8.
What is the molecular formula of (4-Chlorophenyl)(4-ethylpiperazin-1-yl)methanethione?
The molecular formula of (4-Chlorophenyl)(4-ethylpiperazin-1-yl)methanethione is C13H17ClN2S.
What is the molecular weight of (4-Chlorophenyl)(4-ethylpiperazin-1-yl)methanethione?
The molecular weight of (4-Chlorophenyl)(4-ethylpiperazin-1-yl)methanethione is 268.08 g/mol.
Where can I buy (4-Chlorophenyl)(4-ethylpiperazin-1-yl)methanethione?
You can request a quote for (4-Chlorophenyl)(4-ethylpiperazin-1-yl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chlorophenyl)(4-ethylpiperazin-1-yl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorophenyl)(4-ethylpiperazin-1-yl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.