2-({4-Nitrobenzylidene}amino)-5-phenyl-1,3,4-thiadiazole
TL;DR: 2-({4-Nitrobenzylidene}amino)-5-phenyl-1,3,4-thiadiazole (CAS 1638511-61-1) is a chemical compound with molecular formula C15H10N4O2S and molecular weight 310.05246 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(4-nitrophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
Also Known As: 2-({4-nitrobenzylidene}amino)-5-phenyl-1,3,4-thiadiazole, (E)-1-(4-nitrophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
Technical Specifications
| Molecular Formula | C15H10N4O2S |
| Molecular Weight | 310.05246 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.05246 Da |
| Heavy Atoms | 22 |
| Complexity | 401.0 |
| SMILES | C1=CC=C(C=C1)C2=NN=C(S2)/N=C/C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | JUXLLVQRDVPHER-MHWRWJLKSA-N |
Chemical Property Profile of 2-({4-Nitrobenzylidene}amino)-5-phenyl-1,3,4-thiadiazole
Property Insights of 2-({4-Nitrobenzylidene}amino)-5-phenyl-1,3,4-thiadiazole
The XLogP value of 3.5 indicates that 2-({4-Nitrobenzylidene}amino)-5-phenyl-1,3,4-thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({4-Nitrobenzylidene}amino)-5-phenyl-1,3,4-thiadiazole. Following Lipinski's Rule of Five, 2-({4-Nitrobenzylidene}amino)-5-phenyl-1,3,4-thiadiazole 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
What is the CAS number of 2-({4-Nitrobenzylidene}amino)-5-phenyl-1,3,4-thiadiazole?
The CAS number of 2-({4-Nitrobenzylidene}amino)-5-phenyl-1,3,4-thiadiazole is 1638511-61-1.
What is the molecular formula of 2-({4-Nitrobenzylidene}amino)-5-phenyl-1,3,4-thiadiazole?
The molecular formula of 2-({4-Nitrobenzylidene}amino)-5-phenyl-1,3,4-thiadiazole is C15H10N4O2S.
What is the molecular weight of 2-({4-Nitrobenzylidene}amino)-5-phenyl-1,3,4-thiadiazole?
The molecular weight of 2-({4-Nitrobenzylidene}amino)-5-phenyl-1,3,4-thiadiazole is 310.05246 g/mol.
Where can I buy 2-({4-Nitrobenzylidene}amino)-5-phenyl-1,3,4-thiadiazole?
You can request a quote for 2-({4-Nitrobenzylidene}amino)-5-phenyl-1,3,4-thiadiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-({4-Nitrobenzylidene}amino)-5-phenyl-1,3,4-thiadiazole?
Yes, CoreyChem provides custom synthesis services for 2-({4-Nitrobenzylidene}amino)-5-phenyl-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.