Acetic acid, thio-, S-(4-fluorobutyl) ester
TL;DR: Acetic acid, thio-, S-(4-fluorobutyl) ester (CAS 373-11-5) is a chemical compound with molecular formula C6H11FOS and molecular weight 150.05147 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-(4-fluorobutyl) ethanethioate
Also Known As: 4-Fluorobutyl thiolacetate, ThioaceticacidS- ester, Butanethiol, 4-fluoro-, acetate, S-(4-fluorobutyl) ethanethioate, Heptadecanoic acid tryptamide
Technical Specifications
| Molecular Formula | C6H11FOS |
| Molecular Weight | 150.05147 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 150.05147 Da |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
| SMILES | CC(=O)SCCCCF |
| InChIKey | YRZBWKXTJMKJIO-UHFFFAOYSA-N |
Product Description
Applications: Acetic acid, thio-, S-(4-fluorobutyl) ester is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Acetic acid, thio-, S-(4-fluorobutyl) ester is a fine chemical identified by CAS number 373-11-5 and the molecular formula C6H11FOS and a molecular weight of 150.05 g/mol. Synonyms include 4-Fluorobutyl thiolacetate and ThioaceticacidS- ester.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Acetic acid, thio-, S-(4-fluorobutyl) ester
Property Insights of Acetic acid, thio-, S-(4-fluorobutyl) ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, thio-, S-(4-fluorobutyl) ester. With a topological polar surface area (TPSA) of 42.4 Ų, Acetic acid, thio-, S-(4-fluorobutyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, thio-, S-(4-fluorobutyl) ester 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
What is the CAS number of Acetic acid, thio-, S-(4-fluorobutyl) ester?
The CAS number of Acetic acid, thio-, S-(4-fluorobutyl) ester is 373-11-5.
What is the molecular formula of Acetic acid, thio-, S-(4-fluorobutyl) ester?
The molecular formula of Acetic acid, thio-, S-(4-fluorobutyl) ester is C6H11FOS.
What is the molecular weight of Acetic acid, thio-, S-(4-fluorobutyl) ester?
The molecular weight of Acetic acid, thio-, S-(4-fluorobutyl) ester is 150.05147 g/mol.
What are the applications of Acetic acid, thio-, S-(4-fluorobutyl) ester?
Acetic acid, thio-, S-(4-fluorobutyl) ester is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation...
Where can I buy Acetic acid, thio-, S-(4-fluorobutyl) ester?
You can request a quote for Acetic acid, thio-, S-(4-fluorobutyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, thio-, S-(4-fluorobutyl) ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, thio-, S-(4-fluorobutyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.