S~1~,S~4~-Diethyl piperazine-1,4-dicarbothioate
TL;DR: S~1~,S~4~-Diethyl piperazine-1,4-dicarbothioate (CAS 88068-72-8) is a chemical compound with molecular formula C10H18N2O2S2 and molecular weight 262.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-S,4-S-diethyl piperazine-1,4-dicarbothioate
Also Known As: NCIOpen2_002844, diethyl piperazine-1,4-dicarbothioate, s1,s4-diethyl piperazine-1,4-dicarbothioate, S~1~,S~4~-Diethyl piperazine-1,4-dicarbothioate, 1-S,4-S-diethyl piperazine-1,4-dicarbothioate
| Molecular Formula | C10H18N2O2S2 |
|---|---|
| Molecular Weight | 262.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 91.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.08096 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 88068-72-8 |
|---|---|
| SMILES | CCSC(=O)N1CCN(CC1)C(=O)SCC |
| InChIKey | NWIOTCMUKBWAAX-UHFFFAOYSA-N |
Product Overview
S~1~,S~4~-Diethyl piperazine-1,4-dicarbothioate (CAS 88068-72-8), with molecular formula C10H18N2O2S2 and molecular weight 262.08 g/mol. IUPAC: 1-S,4-S-diethyl piperazine-1,4-dicarbothioate.
Chemical Property Profile of S~1~,S~4~-Diethyl piperazine-1,4-dicarbothioate
Property Insights of S~1~,S~4~-Diethyl piperazine-1,4-dicarbothioate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S~1~,S~4~-Diethyl piperazine-1,4-dicarbothioate. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for S~1~,S~4~-Diethyl piperazine-1,4-dicarbothioate. Following Lipinski's Rule of Five, S~1~,S~4~-Diethyl piperazine-1,4-dicarbothioate has 0 hydrogen bond donor(s) and 4 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 S~1~,S~4~-Diethyl piperazine-1,4-dicarbothioate?
The CAS number of S~1~,S~4~-Diethyl piperazine-1,4-dicarbothioate is 88068-72-8.
What is the molecular formula of S~1~,S~4~-Diethyl piperazine-1,4-dicarbothioate?
The molecular formula of S~1~,S~4~-Diethyl piperazine-1,4-dicarbothioate is C10H18N2O2S2.
What is the molecular weight of S~1~,S~4~-Diethyl piperazine-1,4-dicarbothioate?
The molecular weight of S~1~,S~4~-Diethyl piperazine-1,4-dicarbothioate is 262.08 g/mol.
Where can I buy S~1~,S~4~-Diethyl piperazine-1,4-dicarbothioate?
You can request a quote for S~1~,S~4~-Diethyl piperazine-1,4-dicarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S~1~,S~4~-Diethyl piperazine-1,4-dicarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S~1~,S~4~-Diethyl piperazine-1,4-dicarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.