![ethyl 2-{[3-(acetylamino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate structure](/static/products/866/866010-98-2.png)
ethyl 2-{[3-(acetylamino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate
TL;DR: ethyl 2-{[3-(acetylamino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate (CAS 866010-98-2) is a chemical compound with molecular formula C8H12N4O3S and molecular weight 244.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-acetamido-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Also Known As: ethyl 2-{[3-(acetylamino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate, ethyl 2-[(5-acetamido-1H-1,2,4-triazol-3-yl)sulfanyl]acetate, ethyl 2-[(3-acetamido-1H-1,2,4-triazol-5-yl)sulfanyl]acetate, ethyl2-[(3-acetamido-1H-1,2,4-triazol-5-yl)sulfanyl]acetate, ethyl {[5-(acetylamino)-1H-1,2,4-triazol-3-yl]sulfanyl}acetate
| Molecular Formula | C8H12N4O3S |
|---|---|
| Molecular Weight | 244.06 g/mol |
| LogP | 0.4183 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.06302 |
| Heavy Atoms | 16 |
| Complexity | 379.11526 |
Chemical Identifiers
| CAS Number | 866010-98-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NNC(=N1)NC(=O)C |
Product Overview
ethyl 2-{[3-(acetylamino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate (CAS 866010-98-2), with molecular formula C8H12N4O3S and molecular weight 244.06 g/mol. IUPAC: ethyl 2-[(5-acetamido-1H-1,2,4-triazol-3-yl)sulfanyl]acetate.
Chemical Property Profile of ethyl 2-{[3-(acetylamino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate
Property Insights of ethyl 2-{[3-(acetylamino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate
The XLogP value of 0.4183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-{[3-(acetylamino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate. The TPSA of 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[3-(acetylamino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, ethyl 2-{[3-(acetylamino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate has 2 hydrogen bond donor(s) and 6 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-{[3-(acetylamino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate?
The CAS number of ethyl 2-{[3-(acetylamino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate is 866010-98-2.
What is the molecular formula of ethyl 2-{[3-(acetylamino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate?
The molecular formula of ethyl 2-{[3-(acetylamino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate is C8H12N4O3S.
What is the molecular weight of ethyl 2-{[3-(acetylamino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate?
The molecular weight of ethyl 2-{[3-(acetylamino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate is 244.06 g/mol.
Where can I buy ethyl 2-{[3-(acetylamino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate?
You can request a quote for ethyl 2-{[3-(acetylamino)-1H-1,2,4-triazol-5-yl]sulfanyl}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-{[3-(acetylamino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[3-(acetylamino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.