1-(3,4-Dichlorobenzothioyl)-4-ethylpiperazine
TL;DR: 1-(3,4-Dichlorobenzothioyl)-4-ethylpiperazine (CAS 677016-02-3) is a chemical compound with molecular formula C13H16Cl2N2S and molecular weight 302.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dichlorophenyl)-(4-ethylpiperazin-1-yl)methanethione
Also Known As: 1-(3,4-dichlorobenzothioyl)-4-ethylpiperazine, (3,4-dichlorophenyl)-(4-ethylpiperazin-1-yl)methanethione, 1-[(3,4-dichlorophenyl)carbonothioyl]-4-ethylpiperazine, AO-081/41965604, (3,4-dichlorophenyl)-(4-ethylpiperazino)methanethione
| Molecular Formula | C13H16Cl2N2S |
|---|---|
| Molecular Weight | 302.04 g/mol |
| LogP | 3.3064 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.04114 |
| Heavy Atoms | 18 |
| Complexity | 442.61743 |
Chemical Identifiers
| CAS Number | 677016-02-3 |
|---|---|
| SMILES | CCN1CCN(CC1)C(=S)C2=CC(=C(C=C2)Cl)Cl |
Product Overview
1-(3,4-Dichlorobenzothioyl)-4-ethylpiperazine (CAS 677016-02-3), with molecular formula C13H16Cl2N2S and molecular weight 302.04 g/mol. IUPAC: (3,4-dichlorophenyl)-(4-ethylpiperazin-1-yl)methanethione.
Chemical Property Profile of 1-(3,4-Dichlorobenzothioyl)-4-ethylpiperazine
Property Insights of 1-(3,4-Dichlorobenzothioyl)-4-ethylpiperazine
The XLogP value of 3.3064 indicates that 1-(3,4-Dichlorobenzothioyl)-4-ethylpiperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.48 Ų, 1-(3,4-Dichlorobenzothioyl)-4-ethylpiperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dichlorobenzothioyl)-4-ethylpiperazine 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 1-(3,4-Dichlorobenzothioyl)-4-ethylpiperazine?
The CAS number of 1-(3,4-Dichlorobenzothioyl)-4-ethylpiperazine is 677016-02-3.
What is the molecular formula of 1-(3,4-Dichlorobenzothioyl)-4-ethylpiperazine?
The molecular formula of 1-(3,4-Dichlorobenzothioyl)-4-ethylpiperazine is C13H16Cl2N2S.
What is the molecular weight of 1-(3,4-Dichlorobenzothioyl)-4-ethylpiperazine?
The molecular weight of 1-(3,4-Dichlorobenzothioyl)-4-ethylpiperazine is 302.04 g/mol.
Where can I buy 1-(3,4-Dichlorobenzothioyl)-4-ethylpiperazine?
You can request a quote for 1-(3,4-Dichlorobenzothioyl)-4-ethylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dichlorobenzothioyl)-4-ethylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dichlorobenzothioyl)-4-ethylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.