ethyl 5-((2E)-2-benzylidenehydrazinyl)thiadiazole-4-carboxylate
TL;DR: ethyl 5-((2E)-2-benzylidenehydrazinyl)thiadiazole-4-carboxylate (CAS 127045-28-7) is a chemical compound with molecular formula C12H12N4O2S and molecular weight 276.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-[(2E)-2-benzylidenehydrazinyl]thiadiazole-4-carboxylate
Also Known As: AF-407/32638020, ethyl 5-((2E)-2-benzylidenehydrazinyl)thiadiazole-4-carboxylate, ethyl 5-(2-benzylidenehydrazino)-1,2,3-thiadiazole-4-carboxylate, (E)-ethyl 5-(2-benzylidenehydrazinyl)-1,2,3-thiadiazole-4-carboxylate, ethyl 5-[(2E)-2-benzylidenehydrazino]-1,2,3-thiadiazole-4-carboxylate
Technical Specifications
| Molecular Formula | C12H12N4O2S |
| Molecular Weight | 276.06808 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 276.06808 Da |
| Heavy Atoms | 19 |
| Complexity | 321.0 |
| SMILES | CCOC(=O)C1=C(SN=N1)N/N=C/C2=CC=CC=C2 |
| InChIKey | LIRIJIMVGOTJNK-MDWZMJQESA-N |
Chemical Property Profile of ethyl 5-((2E)-2-benzylidenehydrazinyl)thiadiazole-4-carboxylate
Property Insights of ethyl 5-((2E)-2-benzylidenehydrazinyl)thiadiazole-4-carboxylate
The XLogP value of 3.5 indicates that ethyl 5-((2E)-2-benzylidenehydrazinyl)thiadiazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-((2E)-2-benzylidenehydrazinyl)thiadiazole-4-carboxylate. Following Lipinski's Rule of Five, ethyl 5-((2E)-2-benzylidenehydrazinyl)thiadiazole-4-carboxylate has 1 hydrogen bond donor(s) and 7 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-((2E)-2-benzylidenehydrazinyl)thiadiazole-4-carboxylate?
The CAS number of ethyl 5-((2E)-2-benzylidenehydrazinyl)thiadiazole-4-carboxylate is 127045-28-7.
What is the molecular formula of ethyl 5-((2E)-2-benzylidenehydrazinyl)thiadiazole-4-carboxylate?
The molecular formula of ethyl 5-((2E)-2-benzylidenehydrazinyl)thiadiazole-4-carboxylate is C12H12N4O2S.
What is the molecular weight of ethyl 5-((2E)-2-benzylidenehydrazinyl)thiadiazole-4-carboxylate?
The molecular weight of ethyl 5-((2E)-2-benzylidenehydrazinyl)thiadiazole-4-carboxylate is 276.06808 g/mol.
Where can I buy ethyl 5-((2E)-2-benzylidenehydrazinyl)thiadiazole-4-carboxylate?
You can request a quote for ethyl 5-((2E)-2-benzylidenehydrazinyl)thiadiazole-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 5-((2E)-2-benzylidenehydrazinyl)thiadiazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 5-((2E)-2-benzylidenehydrazinyl)thiadiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.