硫代乙酸S-(4-氟丁基)酯
TL;DR: 硫代乙酸S-(4-氟丁基)酯 (CAS 373-11-5) is a chemical compound with molecular formula C6H11FOS and molecular weight 150.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫代乙酸S-(4-氟丁基)酯
S-(4-fluorobutyl) ethanethioate
Also Known As: 4-Fluorobutyl thiolacetate, ThioaceticacidS- ester, Butanethiol, 4-fluoro-, acetate, S-(4-fluorobutyl) ethanethioate, Heptadecanoic acid tryptamide
| Molecular Formula | C6H11FOS |
|---|---|
| Molecular Weight | 150.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 150.05147 |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 373-11-5 |
|---|---|
| SMILES | CC(=O)SCCCCF |
| InChIKey | YRZBWKXTJMKJIO-UHFFFAOYSA-N |
Product Overview
硫代乙酸S-(4-氟丁基)酯 (CAS 373-11-5), with molecular formula C6H11FOS and molecular weight 150.05 g/mol. IUPAC: S-(4-fluorobutyl) ethanethioate.
Chemical Property Profile of 硫代乙酸S-(4-氟丁基)酯
Property Insights of 硫代乙酸S-(4-氟丁基)酯
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫代乙酸S-(4-氟丁基)酯. With a topological polar surface area (TPSA) of 42.4 Ų, 硫代乙酸S-(4-氟丁基)酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫代乙酸S-(4-氟丁基)酯 has 0 hydrogen bond donor(s) and 3 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 硫代乙酸S-(4-氟丁基)酯?
The CAS number of 硫代乙酸S-(4-氟丁基)酯 is 373-11-5.
What is the molecular formula of 硫代乙酸S-(4-氟丁基)酯?
The molecular formula of 硫代乙酸S-(4-氟丁基)酯 is C6H11FOS.
What is the molecular weight of 硫代乙酸S-(4-氟丁基)酯?
The molecular weight of 硫代乙酸S-(4-氟丁基)酯 is 150.05 g/mol.
Where can I buy 硫代乙酸S-(4-氟丁基)酯?
You can request a quote for 硫代乙酸S-(4-氟丁基)酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫代乙酸S-(4-氟丁基)酯?
Yes, KEHONG BIO provides custom synthesis services for 硫代乙酸S-(4-氟丁基)酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.