硫代乙酸S-(2-氟乙基)酯
TL;DR: 硫代乙酸S-(2-氟乙基)酯 (CAS 462-31-7) is a chemical compound with molecular formula C4H7FOS and molecular weight 122.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫代乙酸S-(2-氟乙基)酯
S-(2-fluoroethyl) ethanethioate
Also Known As: 2-Fluoroethyl thiolacetate, s-(2-fluoroethyl) ethanethioate, 1-(2-fluoroethylsulfanyl)ethanone, Ethanethioic S-acid, 2-fluoroethyl ester, Thioacetic acid S-(2-fluoroethyl) ester
| Molecular Formula | C4H7FOS |
|---|---|
| Molecular Weight | 122.02 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 122.020164 |
| Heavy Atoms | 7 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 462-31-7 |
|---|---|
| SMILES | CC(=O)SCCF |
| InChIKey | MFWYIFRPVITMEP-UHFFFAOYSA-N |
Product Overview
硫代乙酸S-(2-氟乙基)酯 (CAS 462-31-7), with molecular formula C4H7FOS and molecular weight 122.02 g/mol. IUPAC: S-(2-fluoroethyl) ethanethioate.
Chemical Property Profile of 硫代乙酸S-(2-氟乙基)酯
Property Insights of 硫代乙酸S-(2-氟乙基)酯
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫代乙酸S-(2-氟乙基)酯. With a topological polar surface area (TPSA) of 42.4 Ų, 硫代乙酸S-(2-氟乙基)酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫代乙酸S-(2-氟乙基)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-(2-氟乙基)酯?
The CAS number of 硫代乙酸S-(2-氟乙基)酯 is 462-31-7.
What is the molecular formula of 硫代乙酸S-(2-氟乙基)酯?
The molecular formula of 硫代乙酸S-(2-氟乙基)酯 is C4H7FOS.
What is the molecular weight of 硫代乙酸S-(2-氟乙基)酯?
The molecular weight of 硫代乙酸S-(2-氟乙基)酯 is 122.02 g/mol.
Where can I buy 硫代乙酸S-(2-氟乙基)酯?
You can request a quote for 硫代乙酸S-(2-氟乙基)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-(2-氟乙基)酯?
Yes, KEHONG BIO provides custom synthesis services for 硫代乙酸S-(2-氟乙基)酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.