Pentafluorothiophenol
TL;DR: Pentafluorothiophenol (CAS 771-62-0) is a chemical compound with molecular formula C6HF5S and molecular weight 199.97191 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,4,5,6-pentafluorobenzenethiol
Also Known As: Pentafluorothiophenol, Pentafluorobenzenethiol, BENZENETHIOL, PENTAFLUORO-, perfluorothiophenol, Pentafluorobenzenethiol-
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6HF5S |
| Molecular Weight | 199.97191 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.97191 Da |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
| SMILES | C1(=C(C(=C(C(=C1F)F)S)F)F)F |
| InChIKey | UVAMFBJPMUMURT-UHFFFAOYSA-N |
Product Description
Applications: Pentafluorothiophenol is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. 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).
Pentafluorothiophenol (CAS 771-62-0) is a polymer intermediate with the molecular formula C6HF5S and a molecular weight of 199.97 g/mol. Synonyms include Pentafluorothiophenol and Pentafluorobenzenethiol.
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 Pentafluorothiophenol
Property Insights of Pentafluorothiophenol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentafluorothiophenol. With a topological polar surface area (TPSA) of 1.0 Ų, Pentafluorothiophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentafluorothiophenol has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pentafluorothiophenol?
The CAS number of Pentafluorothiophenol is 771-62-0.
What is the molecular formula of Pentafluorothiophenol?
The molecular formula of Pentafluorothiophenol is C6HF5S.
What is the molecular weight of Pentafluorothiophenol?
The molecular weight of Pentafluorothiophenol is 199.97191 g/mol.
What are the applications of Pentafluorothiophenol?
Pentafluorothiophenol is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Pentafluorothiophenol?
You can request a quote for Pentafluorothiophenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentafluorothiophenol?
Yes, CoreyChem provides custom synthesis services for Pentafluorothiophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.