![ethyl {[5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate structure](/static/products/889/889403-15-0.png)
ethyl {[5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
TL;DR: ethyl {[5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS 889403-15-0) is a chemical compound with molecular formula C13H17N3O2S2 and molecular weight 311.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-(4,5-dimethylthiophen-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ethyl {[5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, ethyl 2-((5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-[[5-(4,5-dimethylthiophen-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate, ethyl 2-[5-(4,5-dimethyl(3-thienyl))-4-methyl-1,2,4-triazol-3-ylthio]acetate, ETHYL 2-{[5-(4,5-DIMETHYL-3-THIENYL)-4-METHYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETATE
| Molecular Formula | C13H17N3O2S2 |
|---|---|
| Molecular Weight | 311.08 g/mol |
| LogP | 2.81564 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.07623 |
| Heavy Atoms | 20 |
| Complexity | 619.16003 |
Chemical Identifiers
| CAS Number | 889403-15-0 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C)C2=CSC(=C2C)C |
Product Overview
ethyl {[5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS 889403-15-0), with molecular formula C13H17N3O2S2 and molecular weight 311.08 g/mol. IUPAC: ethyl 2-[[5-(4,5-dimethylthiophen-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of ethyl {[5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Property Insights of ethyl {[5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
The XLogP value of 2.81564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl {[5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate. With a topological polar surface area (TPSA) of 57.01 Ų, ethyl {[5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl {[5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate has 0 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 {[5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The CAS number of ethyl {[5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is 889403-15-0.
What is the molecular formula of ethyl {[5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The molecular formula of ethyl {[5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is C13H17N3O2S2.
What is the molecular weight of ethyl {[5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The molecular weight of ethyl {[5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is 311.08 g/mol.
Where can I buy ethyl {[5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
You can request a quote for ethyl {[5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-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 {[5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl {[5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.