2-(4-Fluorophenyl)-1,3-dithiolane
TL;DR: 2-(4-Fluorophenyl)-1,3-dithiolane (CAS 83521-64-6) is a chemical compound with molecular formula C9H9FS2 and molecular weight 200.01297 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-fluorophenyl)-1,3-dithiolane
Also Known As: 2-(p-Fluorophenyl)-1,3-dithiolane, 2-(4-fluorophenyl)-1,3-dithiolane, 1,3-DITHIOLANE, 2-(p-FLUOROPHENYL)-, BRN 5513117
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9FS2 |
| Molecular Weight | 200.01297 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.01297 Da |
| Heavy Atoms | 12 |
| Complexity | 137.0 |
| SMILES | C1CSC(S1)C2=CC=C(C=C2)F |
| InChIKey | RXVLCDZBERVFMS-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Fluorophenyl)-1,3-dithiolane
Property Insights of 2-(4-Fluorophenyl)-1,3-dithiolane
The XLogP value of 3.0 indicates that 2-(4-Fluorophenyl)-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-Fluorophenyl)-1,3-dithiolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Fluorophenyl)-1,3-dithiolane 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
What is the CAS number of 2-(4-Fluorophenyl)-1,3-dithiolane?
The CAS number of 2-(4-Fluorophenyl)-1,3-dithiolane is 83521-64-6.
What is the molecular formula of 2-(4-Fluorophenyl)-1,3-dithiolane?
The molecular formula of 2-(4-Fluorophenyl)-1,3-dithiolane is C9H9FS2.
What is the molecular weight of 2-(4-Fluorophenyl)-1,3-dithiolane?
The molecular weight of 2-(4-Fluorophenyl)-1,3-dithiolane is 200.01297 g/mol.
Where can I buy 2-(4-Fluorophenyl)-1,3-dithiolane?
You can request a quote for 2-(4-Fluorophenyl)-1,3-dithiolane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Fluorophenyl)-1,3-dithiolane?
Yes, CoreyChem provides custom synthesis services for 2-(4-Fluorophenyl)-1,3-dithiolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.