1,4-Dithiane, 2,6-dimethyl-, 1,1,4,4-tetraoxide
TL;DR: 1,4-Dithiane, 2,6-dimethyl-, 1,1,4,4-tetraoxide (CAS 112401-28-2) is a chemical compound with molecular formula C6H12O4S2 and molecular weight 212.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethyl-1,4-dithiane 1,1,4,4-tetraoxide
Also Known As: 1,4-Dithiane, 2,6-dimethyl-, 1,1,4,4-tetraoxide, 2,6-dimethyl-1,4-dithiane 1,1,4,4-tetraoxide, 2,6-Dimethyl-p-dithiane, 1,1,4,4,-tetroxide, 2,6-Dimethyl-[1,4]dithian-1,1,4,4-tetraoxid, 2,6-Dimethyl-1lambda~6~,4lambda~6~-dithiane-1,1,4,4-tetrone
| Molecular Formula | C6H12O4S2 |
|---|---|
| Molecular Weight | 212.02 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.0177 |
| Heavy Atoms | 12 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 112401-28-2 |
|---|---|
| SMILES | CC1CS(=O)(=O)CC(S1(=O)=O)C |
| InChIKey | CFJQMGDGBFDFHE-UHFFFAOYSA-N |
Product Overview
1,4-Dithiane, 2,6-dimethyl-, 1,1,4,4-tetraoxide (CAS 112401-28-2), with molecular formula C6H12O4S2 and molecular weight 212.02 g/mol. IUPAC: 2,6-dimethyl-1,4-dithiane 1,1,4,4-tetraoxide.
Chemical Property Profile of 1,4-Dithiane, 2,6-dimethyl-, 1,1,4,4-tetraoxide
Property Insights of 1,4-Dithiane, 2,6-dimethyl-, 1,1,4,4-tetraoxide
The XLogP value of -0.4 indicates that 1,4-Dithiane, 2,6-dimethyl-, 1,1,4,4-tetraoxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dithiane, 2,6-dimethyl-, 1,1,4,4-tetraoxide. Following Lipinski's Rule of Five, 1,4-Dithiane, 2,6-dimethyl-, 1,1,4,4-tetraoxide 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 1,4-Dithiane, 2,6-dimethyl-, 1,1,4,4-tetraoxide?
The CAS number of 1,4-Dithiane, 2,6-dimethyl-, 1,1,4,4-tetraoxide is 112401-28-2.
What is the molecular formula of 1,4-Dithiane, 2,6-dimethyl-, 1,1,4,4-tetraoxide?
The molecular formula of 1,4-Dithiane, 2,6-dimethyl-, 1,1,4,4-tetraoxide is C6H12O4S2.
What is the molecular weight of 1,4-Dithiane, 2,6-dimethyl-, 1,1,4,4-tetraoxide?
The molecular weight of 1,4-Dithiane, 2,6-dimethyl-, 1,1,4,4-tetraoxide is 212.02 g/mol.
Where can I buy 1,4-Dithiane, 2,6-dimethyl-, 1,1,4,4-tetraoxide?
You can request a quote for 1,4-Dithiane, 2,6-dimethyl-, 1,1,4,4-tetraoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dithiane, 2,6-dimethyl-, 1,1,4,4-tetraoxide?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dithiane, 2,6-dimethyl-, 1,1,4,4-tetraoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.