五氟苯硫酚
TL;DR: 五氟苯硫酚 (CAS 771-62-0) is a chemical compound with molecular formula C6HF5S and molecular weight 199.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
五氟苯硫酚
2,3,4,5,6-pentafluorobenzenethiol
Also Known As: Pentafluorothiophenol, Pentafluorobenzenethiol, BENZENETHIOL, PENTAFLUORO-, perfluorothiophenol, Pentafluorobenzenethiol-
| Molecular Formula | C6HF5S |
|---|---|
| Molecular Weight | 199.97 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.97191 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 771-62-0 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1F)F)S)F)F)F |
| InChIKey | UVAMFBJPMUMURT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
五氟苯硫酚 (CAS 771-62-0), with molecular formula C6HF5S and molecular weight 199.97 g/mol. IUPAC: 2,3,4,5,6-pentafluorobenzenethiol.
Chemical Property Profile of 五氟苯硫酚
Property Insights of 五氟苯硫酚
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 五氟苯硫酚. With a topological polar surface area (TPSA) of 1.0 Ų, 五氟苯硫酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 五氟苯硫酚 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
Frequently Asked Questions
What is the CAS number of 五氟苯硫酚?
The CAS number of 五氟苯硫酚 is 771-62-0.
What is the molecular formula of 五氟苯硫酚?
The molecular formula of 五氟苯硫酚 is C6HF5S.
What is the molecular weight of 五氟苯硫酚?
The molecular weight of 五氟苯硫酚 is 199.97 g/mol.
Where can I buy 五氟苯硫酚?
You can request a quote for 五氟苯硫酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 五氟苯硫酚?
Yes, KEHONG BIO provides custom synthesis services for 五氟苯硫酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.