2-(4-Chlorophenyl)-2-ethyl-1,3-dithiolane
TL;DR: 2-(4-Chlorophenyl)-2-ethyl-1,3-dithiolane (CAS 70066-41-0) is a chemical compound with molecular formula C11H13ClS2 and molecular weight 244.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-2-ethyl-1,3-dithiolane
Also Known As: 2-(4-chlorophenyl)-2-ethyl-1,3-dithiolane
| Molecular Formula | C11H13ClS2 |
|---|---|
| Molecular Weight | 244.01 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.01472 |
| Heavy Atoms | 14 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 70066-41-0 |
|---|---|
| SMILES | CCC1(SCCS1)C2=CC=C(C=C2)Cl |
| InChIKey | MVMVILNYGXUCCT-UHFFFAOYSA-N |
Product Overview
2-(4-Chlorophenyl)-2-ethyl-1,3-dithiolane (CAS 70066-41-0), with molecular formula C11H13ClS2 and molecular weight 244.01 g/mol. IUPAC: 2-(4-chlorophenyl)-2-ethyl-1,3-dithiolane.
Chemical Property Profile of 2-(4-Chlorophenyl)-2-ethyl-1,3-dithiolane
Property Insights of 2-(4-Chlorophenyl)-2-ethyl-1,3-dithiolane
The XLogP value of 4.3 indicates that 2-(4-Chlorophenyl)-2-ethyl-1,3-dithiolane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 2-(4-Chlorophenyl)-2-ethyl-1,3-dithiolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-2-ethyl-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-(4-Chlorophenyl)-2-ethyl-1,3-dithiolane?
The CAS number of 2-(4-Chlorophenyl)-2-ethyl-1,3-dithiolane is 70066-41-0.
What is the molecular formula of 2-(4-Chlorophenyl)-2-ethyl-1,3-dithiolane?
The molecular formula of 2-(4-Chlorophenyl)-2-ethyl-1,3-dithiolane is C11H13ClS2.
What is the molecular weight of 2-(4-Chlorophenyl)-2-ethyl-1,3-dithiolane?
The molecular weight of 2-(4-Chlorophenyl)-2-ethyl-1,3-dithiolane is 244.01 g/mol.
Where can I buy 2-(4-Chlorophenyl)-2-ethyl-1,3-dithiolane?
You can request a quote for 2-(4-Chlorophenyl)-2-ethyl-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-(4-Chlorophenyl)-2-ethyl-1,3-dithiolane?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-2-ethyl-1,3-dithiolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.