Hexanethiol, 6-fluoro-
TL;DR: Hexanethiol, 6-fluoro- (CAS 408-09-3) is a chemical compound with molecular formula C6H13FS and molecular weight 136.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-fluorohexane-1-thiol
Also Known As: 6-fluorohexane-1-thiol, 6-Fluorohexyl mercaptan, Mercaptan, 6-fluorohexyl-, HEXANETHIOL, 6-FLUORO-, 6-Fluoro-1-hexanethiol
| Molecular Formula | C6H13FS |
|---|---|
| Molecular Weight | 136.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 136.0722 |
| Heavy Atoms | 8 |
| Complexity | 39.0 |
Chemical Identifiers
| CAS Number | 408-09-3 |
|---|---|
| SMILES | C(CCCS)CCF |
| InChIKey | YEJIOOCWBINOSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanethiol, 6-fluoro- (CAS 408-09-3), with molecular formula C6H13FS and molecular weight 136.07 g/mol. IUPAC: 6-fluorohexane-1-thiol.
Chemical Property Profile of Hexanethiol, 6-fluoro-
Property Insights of Hexanethiol, 6-fluoro-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanethiol, 6-fluoro-. With a topological polar surface area (TPSA) of 1.0 Ų, Hexanethiol, 6-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanethiol, 6-fluoro- has 1 hydrogen bond donor(s) and 2 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 Hexanethiol, 6-fluoro-?
The CAS number of Hexanethiol, 6-fluoro- is 408-09-3.
What is the molecular formula of Hexanethiol, 6-fluoro-?
The molecular formula of Hexanethiol, 6-fluoro- is C6H13FS.
What is the molecular weight of Hexanethiol, 6-fluoro-?
The molecular weight of Hexanethiol, 6-fluoro- is 136.07 g/mol.
Where can I buy Hexanethiol, 6-fluoro-?
You can request a quote for Hexanethiol, 6-fluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanethiol, 6-fluoro-?
Yes, KEHONG BIO provides custom synthesis services for Hexanethiol, 6-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.