Fluorbenside
TL;DR: Fluorbenside (CAS 405-30-1) is a chemical compound with molecular formula C13H10ClFS and molecular weight 252.01758 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-4-[(4-fluorophenyl)sulfanylmethyl]benzene
Also Known As: FLUORBENSIDE, Fluoroparacide, Fluorparacide, Fluorosulphacide, Fluorsulphacide
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H10ClFS |
| Molecular Weight | 252.01758 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.01758 Da |
| Heavy Atoms | 16 |
| Complexity | 196.0 |
| Melting Point | 36 °C |
| Vapor Pressure | 0.0000828 [mmHg] |
| Solubility | INSOL IN WATER; SOL IN ACETONE & OILS |
| SMILES | C1=CC(=CC=C1CSC2=CC=C(C=C2)F)Cl |
| InChIKey | GBZXOIUBLKUSJR-UHFFFAOYSA-N |
Product Description
Applications: Fluorbenside is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A agrochemical intermediate supplied by CoreyChem, Fluorbenside (CAS 405-30-1) has the molecular formula C13H10ClFS and a molecular weight of 252.02 g/mol. Reported properties include a solubility: INSOL IN WATER; SOL IN ACETONE & OILS. Synonyms include FLUORBENSIDE and Fluoroparacide.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Fluorbenside
Property Insights of Fluorbenside
The XLogP value of 4.7 indicates that Fluorbenside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Fluorbenside exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Fluorbenside 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
What is the CAS number of Fluorbenside?
The CAS number of Fluorbenside is 405-30-1.
What is the molecular formula of Fluorbenside?
The molecular formula of Fluorbenside is C13H10ClFS.
What is the molecular weight of Fluorbenside?
The molecular weight of Fluorbenside is 252.01758 g/mol.
What are the applications of Fluorbenside?
Fluorbenside is used in agrochemical development, including crop protection agent synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog...
Where can I buy Fluorbenside?
You can request a quote for Fluorbenside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Fluorbenside?
Yes, CoreyChem provides custom synthesis services for Fluorbenside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.