2-(4-Fluorophenyl)-1,3-dithiane
TL;DR: 2-(4-Fluorophenyl)-1,3-dithiane (CAS 57009-75-3) is a chemical compound with molecular formula C10H11FS2 and molecular weight 214.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-1,3-dithiane
Also Known As: 2-(4-fluorophenyl)-1,3-dithiane, 2-(3-fluorophenyl)-1,3-dithiane, J1.677.707B, AN-967/15488271
| Molecular Formula | C10H11FS2 |
|---|---|
| Molecular Weight | 214.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.02863 |
| Heavy Atoms | 13 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 57009-75-3 |
|---|---|
| SMILES | C1CSC(SC1)C2=CC=C(C=C2)F |
| InChIKey | IDQGMDVTWFRXOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Fluorophenyl)-1,3-dithiane (CAS 57009-75-3), with molecular formula C10H11FS2 and molecular weight 214.03 g/mol. IUPAC: 2-(4-fluorophenyl)-1,3-dithiane.
Chemical Property Profile of 2-(4-Fluorophenyl)-1,3-dithiane
Property Insights of 2-(4-Fluorophenyl)-1,3-dithiane
The XLogP value of 3.4 indicates that 2-(4-Fluorophenyl)-1,3-dithiane 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-dithiane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Fluorophenyl)-1,3-dithiane 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 2-(4-Fluorophenyl)-1,3-dithiane?
The CAS number of 2-(4-Fluorophenyl)-1,3-dithiane is 57009-75-3.
What is the molecular formula of 2-(4-Fluorophenyl)-1,3-dithiane?
The molecular formula of 2-(4-Fluorophenyl)-1,3-dithiane is C10H11FS2.
What is the molecular weight of 2-(4-Fluorophenyl)-1,3-dithiane?
The molecular weight of 2-(4-Fluorophenyl)-1,3-dithiane is 214.03 g/mol.
Where can I buy 2-(4-Fluorophenyl)-1,3-dithiane?
You can request a quote for 2-(4-Fluorophenyl)-1,3-dithiane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Fluorophenyl)-1,3-dithiane?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluorophenyl)-1,3-dithiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.