![4-[(4-Nitro-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol structure](/static/products/163/1630031-33-2.webp)
4-[(4-Nitro-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol
TL;DR: 4-[(4-Nitro-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol (CAS 1630031-33-2) is a chemical compound with molecular formula C15H11N5O2S and molecular weight 325.06335 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-(4-nitrophenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 00330102, 4-[(4-Nitro-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol, (E)-4-((4-nitrobenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol, 4-[(E)-(4-nitrophenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione, 4-{[(E)-(4-nitrophenyl)methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol
Technical Specifications
| Molecular Formula | C15H11N5O2S |
| Molecular Weight | 325.06335 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.06335 Da |
| Heavy Atoms | 23 |
| Complexity | 516.0 |
| SMILES | C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | TTZIAKNUUKCNGO-MHWRWJLKSA-N |
Chemical Property Profile of 4-[(4-Nitro-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol
Property Insights of 4-[(4-Nitro-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol
The XLogP value of 3.1 indicates that 4-[(4-Nitro-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Nitro-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol. Following Lipinski's Rule of Five, 4-[(4-Nitro-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol 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 4-[(4-Nitro-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol?
The CAS number of 4-[(4-Nitro-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol is 1630031-33-2.
What is the molecular formula of 4-[(4-Nitro-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol?
The molecular formula of 4-[(4-Nitro-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol is C15H11N5O2S.
What is the molecular weight of 4-[(4-Nitro-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol?
The molecular weight of 4-[(4-Nitro-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol is 325.06335 g/mol.
Where can I buy 4-[(4-Nitro-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol?
You can request a quote for 4-[(4-Nitro-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[(4-Nitro-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 4-[(4-Nitro-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.