![ethyl [(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate structure](/static/products/1124/112408-21-6.webp)
ethyl [(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
TL;DR: ethyl [(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate (CAS 112408-21-6) is a chemical compound with molecular formula C12H13N3O2S and molecular weight 263.07285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Also Known As: J3.030.414D, ethyl [(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, ethyl 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate, ethyl 2-(5-phenyl-4H-1,2,4-triazol-3-ylthio)acetate, ethyl 2-((5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate
Technical Specifications
| Molecular Formula | C12H13N3O2S |
| Molecular Weight | 263.07285 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 263.07285 Da |
| Heavy Atoms | 18 |
| Complexity | 272.0 |
| SMILES | CCOC(=O)CSC1=NNC(=N1)C2=CC=CC=C2 |
| InChIKey | WJKCWBDVBACIIN-UHFFFAOYSA-N |
Chemical Property Profile of ethyl [(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Property Insights of ethyl [(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl [(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl [(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, ethyl [(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]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
What is the CAS number of ethyl [(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The CAS number of ethyl [(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate is 112408-21-6.
What is the molecular formula of ethyl [(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The molecular formula of ethyl [(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate is C12H13N3O2S.
What is the molecular weight of ethyl [(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The molecular weight of ethyl [(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate is 263.07285 g/mol.
Where can I buy ethyl [(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
You can request a quote for ethyl [(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl [(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
Yes, CoreyChem provides custom synthesis services for ethyl [(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.