3,6-Dimethyl-1,2-dithiane 1-oxide
TL;DR: 3,6-Dimethyl-1,2-dithiane 1-oxide (CAS 93281-65-3) is a chemical compound with molecular formula C6H12OS2 and molecular weight 164.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dimethyldithiane 1-oxide
Also Known As: 3,6-dimethyldithiane 1-oxide, 3,6-dimethyl-1,2-dithiane 1-oxide, 3,6-Dimethyl-1lambda~4~,2-dithian-1-one
| Molecular Formula | C6H12OS2 |
|---|---|
| Molecular Weight | 164.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.03296 |
| Heavy Atoms | 9 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 93281-65-3 |
|---|---|
| SMILES | CC1CCC(S(=O)S1)C |
| InChIKey | OWKLFWLTKPDGGO-UHFFFAOYSA-N |
Product Overview
3,6-Dimethyl-1,2-dithiane 1-oxide (CAS 93281-65-3), with molecular formula C6H12OS2 and molecular weight 164.03 g/mol. IUPAC: 3,6-dimethyldithiane 1-oxide.
Chemical Property Profile of 3,6-Dimethyl-1,2-dithiane 1-oxide
Property Insights of 3,6-Dimethyl-1,2-dithiane 1-oxide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Dimethyl-1,2-dithiane 1-oxide. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Dimethyl-1,2-dithiane 1-oxide. Following Lipinski's Rule of Five, 3,6-Dimethyl-1,2-dithiane 1-oxide 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 3,6-Dimethyl-1,2-dithiane 1-oxide?
The CAS number of 3,6-Dimethyl-1,2-dithiane 1-oxide is 93281-65-3.
What is the molecular formula of 3,6-Dimethyl-1,2-dithiane 1-oxide?
The molecular formula of 3,6-Dimethyl-1,2-dithiane 1-oxide is C6H12OS2.
What is the molecular weight of 3,6-Dimethyl-1,2-dithiane 1-oxide?
The molecular weight of 3,6-Dimethyl-1,2-dithiane 1-oxide is 164.03 g/mol.
Where can I buy 3,6-Dimethyl-1,2-dithiane 1-oxide?
You can request a quote for 3,6-Dimethyl-1,2-dithiane 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dimethyl-1,2-dithiane 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dimethyl-1,2-dithiane 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.