Ethylthiopentafluorobenzene
TL;DR: Ethylthiopentafluorobenzene (CAS 33288-21-0) is a chemical compound with molecular formula C8H5F5S and molecular weight 228.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylsulfanyl-2,3,4,5,6-pentafluorobenzene
Also Known As: Ethyl(perfluorophenyl)sulfane, Ethylthiopentafluorobenzene, Benzene, (ethylthio)pentafluoro-, 1-Ethylthio-2,3,4,5,6-pentafluorobenzene, 1-ethylsulfanyl-2,3,4,5,6-pentafluorobenzene
| Molecular Formula | C8H5F5S |
|---|---|
| Molecular Weight | 228.00 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.00322 |
| Heavy Atoms | 14 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 33288-21-0 |
|---|---|
| SMILES | CCSC1=C(C(=C(C(=C1F)F)F)F)F |
| InChIKey | GXKPVMQTAYPCKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethylthiopentafluorobenzene (CAS 33288-21-0), with molecular formula C8H5F5S and molecular weight 228.00 g/mol. IUPAC: 1-ethylsulfanyl-2,3,4,5,6-pentafluorobenzene.
Chemical Property Profile of Ethylthiopentafluorobenzene
Property Insights of Ethylthiopentafluorobenzene
The XLogP value of 3.3 indicates that Ethylthiopentafluorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Ethylthiopentafluorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethylthiopentafluorobenzene has 0 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 Ethylthiopentafluorobenzene?
The CAS number of Ethylthiopentafluorobenzene is 33288-21-0.
What is the molecular formula of Ethylthiopentafluorobenzene?
The molecular formula of Ethylthiopentafluorobenzene is C8H5F5S.
What is the molecular weight of Ethylthiopentafluorobenzene?
The molecular weight of Ethylthiopentafluorobenzene is 228.00 g/mol.
Where can I buy Ethylthiopentafluorobenzene?
You can request a quote for Ethylthiopentafluorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylthiopentafluorobenzene?
Yes, KEHONG BIO provides custom synthesis services for Ethylthiopentafluorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.