4-(1,2,3-Thiadiazol-4-yl)phenyl acetate
TL;DR: 4-(1,2,3-Thiadiazol-4-yl)phenyl acetate (CAS 114039-05-3) is a chemical compound with molecular formula C10H8N2O2S and molecular weight 220.03065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(thiadiazol-4-yl)phenyl] acetate
Also Known As: 4-(1,2,3-thiadiazol-4-yl)phenyl acetate, [4-(thiadiazol-4-yl)phenyl] acetate, 4-(1,2,3-thiadiazol-4-yl)phenylacetate, 10L-036
Technical Specifications
| Molecular Formula | C10H8N2O2S |
| Molecular Weight | 220.03065 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.03065 Da |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
| SMILES | CC(=O)OC1=CC=C(C=C1)C2=CSN=N2 |
| InChIKey | JESSYNCAGSGAON-UHFFFAOYSA-N |
Chemical Property Profile of 4-(1,2,3-Thiadiazol-4-yl)phenyl acetate
Property Insights of 4-(1,2,3-Thiadiazol-4-yl)phenyl acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,2,3-Thiadiazol-4-yl)phenyl acetate. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,2,3-Thiadiazol-4-yl)phenyl acetate. Following Lipinski's Rule of Five, 4-(1,2,3-Thiadiazol-4-yl)phenyl acetate has 0 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 4-(1,2,3-Thiadiazol-4-yl)phenyl acetate?
The CAS number of 4-(1,2,3-Thiadiazol-4-yl)phenyl acetate is 114039-05-3.
What is the molecular formula of 4-(1,2,3-Thiadiazol-4-yl)phenyl acetate?
The molecular formula of 4-(1,2,3-Thiadiazol-4-yl)phenyl acetate is C10H8N2O2S.
What is the molecular weight of 4-(1,2,3-Thiadiazol-4-yl)phenyl acetate?
The molecular weight of 4-(1,2,3-Thiadiazol-4-yl)phenyl acetate is 220.03065 g/mol.
Where can I buy 4-(1,2,3-Thiadiazol-4-yl)phenyl acetate?
You can request a quote for 4-(1,2,3-Thiadiazol-4-yl)phenyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(1,2,3-Thiadiazol-4-yl)phenyl acetate?
Yes, CoreyChem provides custom synthesis services for 4-(1,2,3-Thiadiazol-4-yl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.