3,5-Ditert-butyl-1,2,4-trithiolane
TL;DR: 3,5-Ditert-butyl-1,2,4-trithiolane (CAS 54833-18-0) is a chemical compound with molecular formula C10H20S3 and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-ditert-butyl-1,2,4-trithiolane
Also Known As: 3,5-Ditert-butyl-1,2,4-trithiolane, 3,5-di-tert-butyl-1,2,4-trithiolane, 3,5-Bis-tert-butyl-1,2,4-trithiolane, 3,5-Ditert-butyl-1,2,4-trithiolane #, 1,2,4-Trithiolane, 3,5-bis(1,1-dimethylethyl)-
| Molecular Formula | C10H20S3 |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.07271 |
| Heavy Atoms | 13 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 54833-18-0 |
|---|---|
| SMILES | CC(C)(C)C1SC(SS1)C(C)(C)C |
| InChIKey | OWNYWMVWDRJUED-UHFFFAOYSA-N |
Product Overview
3,5-Ditert-butyl-1,2,4-trithiolane (CAS 54833-18-0), with molecular formula C10H20S3 and molecular weight 236.07 g/mol. IUPAC: 3,5-ditert-butyl-1,2,4-trithiolane.
Chemical Property Profile of 3,5-Ditert-butyl-1,2,4-trithiolane
Property Insights of 3,5-Ditert-butyl-1,2,4-trithiolane
The XLogP value of 5.1 indicates that 3,5-Ditert-butyl-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-Ditert-butyl-1,2,4-trithiolane. Following Lipinski's Rule of Five, 3,5-Ditert-butyl-1,2,4-trithiolane has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-Ditert-butyl-1,2,4-trithiolane?
The CAS number of 3,5-Ditert-butyl-1,2,4-trithiolane is 54833-18-0.
What is the molecular formula of 3,5-Ditert-butyl-1,2,4-trithiolane?
The molecular formula of 3,5-Ditert-butyl-1,2,4-trithiolane is C10H20S3.
What is the molecular weight of 3,5-Ditert-butyl-1,2,4-trithiolane?
The molecular weight of 3,5-Ditert-butyl-1,2,4-trithiolane is 236.07 g/mol.
Where can I buy 3,5-Ditert-butyl-1,2,4-trithiolane?
You can request a quote for 3,5-Ditert-butyl-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-Ditert-butyl-1,2,4-trithiolane?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Ditert-butyl-1,2,4-trithiolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.