2-(Perfluorobutyl)ethanethiol
TL;DR: 2-(Perfluorobutyl)ethanethiol (CAS 34451-25-7) is a chemical compound with molecular formula C6H5F9S and molecular weight 280.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,4,4,5,5,6,6,6-nonafluorohexane-1-thiol
Also Known As: 2-(Perfluorobutyl)ethanethiol, 3,3,4,4,5,5,6,6,6-nonafluorohexane-1-thiol, 3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexanethiol, 1H,1H,2H,2H-Perfluoro-1-hexanethiol, 1h,1h,2h,2h-perfluorohexanethiol
| Molecular Formula | C6H5F9S |
|---|---|
| Molecular Weight | 280.00 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.99683 |
| Heavy Atoms | 16 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 34451-25-7 |
|---|---|
| SMILES | C(CS)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | GQJXVHYUQPXZOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Perfluorobutyl)ethanethiol (CAS 34451-25-7), with molecular formula C6H5F9S and molecular weight 280.00 g/mol. IUPAC: 3,3,4,4,5,5,6,6,6-nonafluorohexane-1-thiol.
Chemical Property Profile of 2-(Perfluorobutyl)ethanethiol
Property Insights of 2-(Perfluorobutyl)ethanethiol
The XLogP value of 4.0 indicates that 2-(Perfluorobutyl)ethanethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 2-(Perfluorobutyl)ethanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Perfluorobutyl)ethanethiol has 1 hydrogen bond donor(s) and 10 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 2-(Perfluorobutyl)ethanethiol?
The CAS number of 2-(Perfluorobutyl)ethanethiol is 34451-25-7.
What is the molecular formula of 2-(Perfluorobutyl)ethanethiol?
The molecular formula of 2-(Perfluorobutyl)ethanethiol is C6H5F9S.
What is the molecular weight of 2-(Perfluorobutyl)ethanethiol?
The molecular weight of 2-(Perfluorobutyl)ethanethiol is 280.00 g/mol.
Where can I buy 2-(Perfluorobutyl)ethanethiol?
You can request a quote for 2-(Perfluorobutyl)ethanethiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Perfluorobutyl)ethanethiol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Perfluorobutyl)ethanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.