Ethyl 2-(difluoromethylsulfanyl)acetate
TL;DR: Ethyl 2-(difluoromethylsulfanyl)acetate (CAS 83494-29-5) is a chemical compound with molecular formula C5H8F2O2S and molecular weight 170.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(difluoromethylsulfanyl)acetate
Also Known As: ETHYL2- ACETATE, Ethyl 2-(difluoromethylthio)acetate, ethyl 2-[(difluoromethyl)sulfanyl]acetate, ethyl 2-(difluoromethylsulfanyl)acetate, (Difluoromethylthio)acetic acid ethyl ester
| Molecular Formula | C5H8F2O2S |
|---|---|
| Molecular Weight | 170.02 g/mol |
| LogP | 1.5053 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.0213 |
| Heavy Atoms | 10 |
| Complexity | 107.821075 |
Chemical Identifiers
| CAS Number | 83494-29-5 |
|---|---|
| SMILES | CCOC(=O)CSC(F)F |
Product Overview
Ethyl 2-(difluoromethylsulfanyl)acetate (CAS 83494-29-5), with molecular formula C5H8F2O2S and molecular weight 170.02 g/mol. IUPAC: ethyl 2-(difluoromethylsulfanyl)acetate.
Chemical Property Profile of Ethyl 2-(difluoromethylsulfanyl)acetate
Property Insights of Ethyl 2-(difluoromethylsulfanyl)acetate
The XLogP value of 1.5053 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(difluoromethylsulfanyl)acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-(difluoromethylsulfanyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(difluoromethylsulfanyl)acetate 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 Ethyl 2-(difluoromethylsulfanyl)acetate?
The CAS number of Ethyl 2-(difluoromethylsulfanyl)acetate is 83494-29-5.
What is the molecular formula of Ethyl 2-(difluoromethylsulfanyl)acetate?
The molecular formula of Ethyl 2-(difluoromethylsulfanyl)acetate is C5H8F2O2S.
What is the molecular weight of Ethyl 2-(difluoromethylsulfanyl)acetate?
The molecular weight of Ethyl 2-(difluoromethylsulfanyl)acetate is 170.02 g/mol.
Where can I buy Ethyl 2-(difluoromethylsulfanyl)acetate?
You can request a quote for Ethyl 2-(difluoromethylsulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(difluoromethylsulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(difluoromethylsulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.