S~1~,S~4~-Dimethyl piperazine-1,4-dicarbothioate
TL;DR: S~1~,S~4~-Dimethyl piperazine-1,4-dicarbothioate (CAS 83572-65-0) is a chemical compound with molecular formula C8H14N2O2S2 and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-S,4-S-dimethyl piperazine-1,4-dicarbothioate
Also Known As: s1,s4-dimethyl piperazine-1,4-dicarbothioate, 4,6-bis(nitrosomethyl)pyrimidin-2(1h)-one, S~1~,S~4~-Dimethyl piperazine-1,4-dicarbothioate, S,S-dimethyl piperazine-1,4-bis(carbothioate), 1-S,4-S-dimethyl piperazine-1,4-dicarbothioate
| Molecular Formula | C8H14N2O2S2 |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 91.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.04967 |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 83572-65-0 |
|---|---|
| SMILES | CSC(=O)N1CCN(CC1)C(=O)SC |
| InChIKey | VAGTZEFOLGPNIR-UHFFFAOYSA-N |
Product Overview
S~1~,S~4~-Dimethyl piperazine-1,4-dicarbothioate (CAS 83572-65-0), with molecular formula C8H14N2O2S2 and molecular weight 234.05 g/mol. IUPAC: 1-S,4-S-dimethyl piperazine-1,4-dicarbothioate.
Chemical Property Profile of S~1~,S~4~-Dimethyl piperazine-1,4-dicarbothioate
Property Insights of S~1~,S~4~-Dimethyl piperazine-1,4-dicarbothioate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S~1~,S~4~-Dimethyl 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~-Dimethyl piperazine-1,4-dicarbothioate. Following Lipinski's Rule of Five, S~1~,S~4~-Dimethyl 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~-Dimethyl piperazine-1,4-dicarbothioate?
The CAS number of S~1~,S~4~-Dimethyl piperazine-1,4-dicarbothioate is 83572-65-0.
What is the molecular formula of S~1~,S~4~-Dimethyl piperazine-1,4-dicarbothioate?
The molecular formula of S~1~,S~4~-Dimethyl piperazine-1,4-dicarbothioate is C8H14N2O2S2.
What is the molecular weight of S~1~,S~4~-Dimethyl piperazine-1,4-dicarbothioate?
The molecular weight of S~1~,S~4~-Dimethyl piperazine-1,4-dicarbothioate is 234.05 g/mol.
Where can I buy S~1~,S~4~-Dimethyl piperazine-1,4-dicarbothioate?
You can request a quote for S~1~,S~4~-Dimethyl 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~-Dimethyl piperazine-1,4-dicarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S~1~,S~4~-Dimethyl piperazine-1,4-dicarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.