ethyl 2-fluoro-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetate
TL;DR: ethyl 2-fluoro-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetate (CAS 359459-92-0) is a chemical compound with molecular formula C6H8FN3O2S and molecular weight 205.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-fluoro-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetate
Also Known As: ethyl 2-fluoro-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetate, ethyl 2-fluoro-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetate, 3R-0616, Ethyl 2-((1H-1,2,4-triazol-5-yl)thio)-2-fluoroacetate, Ethyl 2-fluoro-2-(2H-1,2,4-triazol-3-ylsulfanyl)acetate
| Molecular Formula | C6H8FN3O2S |
|---|---|
| Molecular Weight | 205.03 g/mol |
| LogP | 0.7555 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.03212 |
| Heavy Atoms | 13 |
| Complexity | 266.8529 |
Chemical Identifiers
| CAS Number | 359459-92-0 |
|---|---|
| SMILES | CCOC(=O)C(F)SC1=NC=NN1 |
Product Overview
ethyl 2-fluoro-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetate (CAS 359459-92-0), with molecular formula C6H8FN3O2S and molecular weight 205.03 g/mol. IUPAC: ethyl 2-fluoro-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetate.
Chemical Property Profile of ethyl 2-fluoro-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetate
Property Insights of ethyl 2-fluoro-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetate
The XLogP value of 0.7555 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-fluoro-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetate. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-fluoro-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetate. Following Lipinski's Rule of Five, ethyl 2-fluoro-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetate has 1 hydrogen bond donor(s) and 5 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-fluoro-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetate?
The CAS number of ethyl 2-fluoro-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetate is 359459-92-0.
What is the molecular formula of ethyl 2-fluoro-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetate?
The molecular formula of ethyl 2-fluoro-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetate is C6H8FN3O2S.
What is the molecular weight of ethyl 2-fluoro-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetate?
The molecular weight of ethyl 2-fluoro-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetate is 205.03 g/mol.
Where can I buy ethyl 2-fluoro-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetate?
You can request a quote for ethyl 2-fluoro-2-(1H-1,2,4-triazol-3-ylsulfanyl)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-fluoro-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-fluoro-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.