5-(2-Chlorophenyl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(2-Chlorophenyl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 160285-00-7) is a chemical compound with molecular formula C15H10ClN5O2S and molecular weight 359.02438 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-chlorophenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(2-Chlorophenyl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol, (E)-5-(2-chlorophenyl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-(2-chlorophenyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-[(1E)-2-(4-nitrophenyl)-1-azavinyl]-5-(2-chlorophenyl)-1,2,4-triazole-3-thio l, 5-(2-chlorophenyl)-4-{[(E)-(4-nitrophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Technical Specifications
| Molecular Formula | C15H10ClN5O2S |
| Molecular Weight | 359.02438 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.02438 Da |
| Heavy Atoms | 24 |
| Complexity | 557.0 |
| SMILES | C1=CC=C(C(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)[N+](=O)[O-])Cl |
| InChIKey | CZUMGPOGNWYRHG-RQZCQDPDSA-N |
Chemical Property Profile of 5-(2-Chlorophenyl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(2-Chlorophenyl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.7 indicates that 5-(2-Chlorophenyl)-4-((4-nitrobenzylidene)amino)-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 5-(2-Chlorophenyl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(2-Chlorophenyl)-4-((4-nitrobenzylidene)amino)-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 5-(2-Chlorophenyl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(2-Chlorophenyl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 160285-00-7.
What is the molecular formula of 5-(2-Chlorophenyl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(2-Chlorophenyl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol is C15H10ClN5O2S.
What is the molecular weight of 5-(2-Chlorophenyl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(2-Chlorophenyl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 359.02438 g/mol.
Where can I buy 5-(2-Chlorophenyl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(2-Chlorophenyl)-4-((4-nitrobenzylidene)amino)-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 5-(2-Chlorophenyl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 5-(2-Chlorophenyl)-4-((4-nitrobenzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.