3-(Pentafluorothio)phenol
TL;DR: 3-(Pentafluorothio)phenol (CAS 672-31-1) is a chemical compound with molecular formula C6H5F5OS and molecular weight 220.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(pentafluoro-λ6-sulfanyl)phenol
Also Known As: 3-(Pentafluorothio)phenol, 3-(PENTAFLUOROSULFANYL)PHENOL, 3-(pentafluoro-, 3-Hydroxyphenylsulphur pentafluoride, 3-Pentafluorosulfanylphenol
| Molecular Formula | C6H5F5OS |
|---|---|
| Molecular Weight | 220.00 g/mol |
| LogP | 4.0496 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.99812 |
| Heavy Atoms | 13 |
| Complexity | 342.21338 |
Chemical Identifiers
| CAS Number | 672-31-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(F)(F)(F)(F)F)O |
Product Overview
3-(Pentafluorothio)phenol (CAS 672-31-1), with molecular formula C6H5F5OS and molecular weight 220.00 g/mol. IUPAC: 3-(pentafluoro-λ6-sulfanyl)phenol.
Chemical Property Profile of 3-(Pentafluorothio)phenol
Property Insights of 3-(Pentafluorothio)phenol
The XLogP value of 4.0496 indicates that 3-(Pentafluorothio)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, 3-(Pentafluorothio)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Pentafluorothio)phenol has 1 hydrogen bond donor(s) and 1 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 3-(Pentafluorothio)phenol?
The CAS number of 3-(Pentafluorothio)phenol is 672-31-1.
What is the molecular formula of 3-(Pentafluorothio)phenol?
The molecular formula of 3-(Pentafluorothio)phenol is C6H5F5OS.
What is the molecular weight of 3-(Pentafluorothio)phenol?
The molecular weight of 3-(Pentafluorothio)phenol is 220.00 g/mol.
Where can I buy 3-(Pentafluorothio)phenol?
You can request a quote for 3-(Pentafluorothio)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Pentafluorothio)phenol?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pentafluorothio)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.