1,4-Bis-(thiobenzoyl)-piperazine
TL;DR: 1,4-Bis-(thiobenzoyl)-piperazine (CAS 6391-95-3) is a chemical compound with molecular formula C18H18N2S2 and molecular weight 326.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(benzenecarbonothioyl)piperazin-1-yl]-phenylmethanethione
Also Known As: 1,4-Bis(thiobenzoyl)piperazine, Piperazinobisthiobenzamide, 1,4-bis(phenylcarbonothioyl)piperazine, 1,4-Dibenzothioylpiperazine #, NIOSH/TL0168600
| Molecular Formula | C18H18N2S2 |
|---|---|
| Molecular Weight | 326.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.09116 |
| Heavy Atoms | 22 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 6391-95-3 |
|---|---|
| SMILES | C1CN(CCN1C(=S)C2=CC=CC=C2)C(=S)C3=CC=CC=C3 |
| InChIKey | UAECCVTYKLPSEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Bis-(thiobenzoyl)-piperazine (CAS 6391-95-3), with molecular formula C18H18N2S2 and molecular weight 326.09 g/mol. IUPAC: [4-(benzenecarbonothioyl)piperazin-1-yl]-phenylmethanethione.
Chemical Property Profile of 1,4-Bis-(thiobenzoyl)-piperazine
Property Insights of 1,4-Bis-(thiobenzoyl)-piperazine
The XLogP value of 3.5 indicates that 1,4-Bis-(thiobenzoyl)-piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Bis-(thiobenzoyl)-piperazine. Following Lipinski's Rule of Five, 1,4-Bis-(thiobenzoyl)-piperazine 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 1,4-Bis-(thiobenzoyl)-piperazine?
The CAS number of 1,4-Bis-(thiobenzoyl)-piperazine is 6391-95-3.
What is the molecular formula of 1,4-Bis-(thiobenzoyl)-piperazine?
The molecular formula of 1,4-Bis-(thiobenzoyl)-piperazine is C18H18N2S2.
What is the molecular weight of 1,4-Bis-(thiobenzoyl)-piperazine?
The molecular weight of 1,4-Bis-(thiobenzoyl)-piperazine is 326.09 g/mol.
Where can I buy 1,4-Bis-(thiobenzoyl)-piperazine?
You can request a quote for 1,4-Bis-(thiobenzoyl)-piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis-(thiobenzoyl)-piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis-(thiobenzoyl)-piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.