2-Ethyl-4-methyl-1,3-dithiolane
TL;DR: 2-Ethyl-4-methyl-1,3-dithiolane (CAS 17564-27-1) is a chemical compound with molecular formula C6H12S2 and molecular weight 148.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-4-methyl-1,3-dithiolane
Also Known As: 2-ethyl-4-methyl-1,3-dithiolane, Fema No. 4870, 1,3-Dithiolane, 2-ethyl-4-methyl-, 3,5-Dimethyl-1-dimethylsilyloxycyclohexane, [(3,5-Dimethylcyclohexyl)oxy](dimethyl)silane
| Molecular Formula | C6H12S2 |
|---|---|
| Molecular Weight | 148.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 148.03804 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 17564-27-1 |
|---|---|
| SMILES | CCC1SCC(S1)C |
| InChIKey | PYBVIKJOGRMFFA-UHFFFAOYSA-N |
Product Overview
2-Ethyl-4-methyl-1,3-dithiolane (CAS 17564-27-1), with molecular formula C6H12S2 and molecular weight 148.04 g/mol. IUPAC: 2-ethyl-4-methyl-1,3-dithiolane.
Chemical Property Profile of 2-Ethyl-4-methyl-1,3-dithiolane
Property Insights of 2-Ethyl-4-methyl-1,3-dithiolane
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-4-methyl-1,3-dithiolane. With a topological polar surface area (TPSA) of 50.6 Ų, 2-Ethyl-4-methyl-1,3-dithiolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-4-methyl-1,3-dithiolane has 0 hydrogen bond donor(s) and 2 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 2-Ethyl-4-methyl-1,3-dithiolane?
The CAS number of 2-Ethyl-4-methyl-1,3-dithiolane is 17564-27-1.
What is the molecular formula of 2-Ethyl-4-methyl-1,3-dithiolane?
The molecular formula of 2-Ethyl-4-methyl-1,3-dithiolane is C6H12S2.
What is the molecular weight of 2-Ethyl-4-methyl-1,3-dithiolane?
The molecular weight of 2-Ethyl-4-methyl-1,3-dithiolane is 148.04 g/mol.
Where can I buy 2-Ethyl-4-methyl-1,3-dithiolane?
You can request a quote for 2-Ethyl-4-methyl-1,3-dithiolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-4-methyl-1,3-dithiolane?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-4-methyl-1,3-dithiolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.