3,5-Diethyl-1,2,4-trithiolane
TL;DR: 3,5-Diethyl-1,2,4-trithiolane (CAS 54644-28-9) is a chemical compound with molecular formula C6H12S3 and molecular weight 180.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diethyl-1,2,4-trithiolane
Also Known As: 3,5-Diethyl-1,2,4-trithiolane, FEMA No. 4030, 1,2,4-Trithiolane, 3,5-diethyl-, (+/-)-3,5-Diethyl-1,2,4-trithiolane, 3,5-diethyl 1,2,4-trithiolane
| Molecular Formula | C6H12S3 |
|---|---|
| Molecular Weight | 180.01 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.01012 |
| Heavy Atoms | 9 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 54644-28-9 |
|---|---|
| SMILES | CCC1SC(SS1)CC |
| InChIKey | WQXXXHMEBYGSBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Diethyl-1,2,4-trithiolane (CAS 54644-28-9), with molecular formula C6H12S3 and molecular weight 180.01 g/mol. IUPAC: 3,5-diethyl-1,2,4-trithiolane.
Chemical Property Profile of 3,5-Diethyl-1,2,4-trithiolane
Property Insights of 3,5-Diethyl-1,2,4-trithiolane
The XLogP value of 3.4 indicates that 3,5-Diethyl-1,2,4-trithiolane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Diethyl-1,2,4-trithiolane. Following Lipinski's Rule of Five, 3,5-Diethyl-1,2,4-trithiolane has 0 hydrogen bond donor(s) and 3 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 3,5-Diethyl-1,2,4-trithiolane?
The CAS number of 3,5-Diethyl-1,2,4-trithiolane is 54644-28-9.
What is the molecular formula of 3,5-Diethyl-1,2,4-trithiolane?
The molecular formula of 3,5-Diethyl-1,2,4-trithiolane is C6H12S3.
What is the molecular weight of 3,5-Diethyl-1,2,4-trithiolane?
The molecular weight of 3,5-Diethyl-1,2,4-trithiolane is 180.01 g/mol.
Where can I buy 3,5-Diethyl-1,2,4-trithiolane?
You can request a quote for 3,5-Diethyl-1,2,4-trithiolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Diethyl-1,2,4-trithiolane?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Diethyl-1,2,4-trithiolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.