![4-[(3-bromobenzylidene)amino]-5-phenyl-4H-1,2,4-triazole-3-thiol structure](/static/products/163/1630031-37-6.webp)
4-[(3-bromobenzylidene)amino]-5-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-[(3-bromobenzylidene)amino]-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 1630031-37-6) is a chemical compound with molecular formula C15H11BrN4S and molecular weight 357.98877 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-(3-bromophenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: BAS 00330528, 4-[(3-bromobenzylidene)amino]-5-phenyl-4H-1,2,4-triazole-3-thiol, 4-[(E)-(3-bromophenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione, 4-[(3-Bromo-benzylidene)-amino]-5-phenyl-4H-[1,2,4]triazole-3-thiol, (E)-4-((3-bromobenzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
Technical Specifications
| Molecular Formula | C15H11BrN4S |
| Molecular Weight | 357.98877 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.98877 Da |
| Heavy Atoms | 21 |
| Complexity | 445.0 |
| SMILES | C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)Br |
| InChIKey | GESPWZBVNAYMDX-LICLKQGHSA-N |
Chemical Property Profile of 4-[(3-bromobenzylidene)amino]-5-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-[(3-bromobenzylidene)amino]-5-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.0 indicates that 4-[(3-bromobenzylidene)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 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3-bromobenzylidene)amino]-5-phenyl-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-[(3-bromobenzylidene)amino]-5-phenyl-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 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-[(3-bromobenzylidene)amino]-5-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-[(3-bromobenzylidene)amino]-5-phenyl-4H-1,2,4-triazole-3-thiol is 1630031-37-6.
What is the molecular formula of 4-[(3-bromobenzylidene)amino]-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-[(3-bromobenzylidene)amino]-5-phenyl-4H-1,2,4-triazole-3-thiol is C15H11BrN4S.
What is the molecular weight of 4-[(3-bromobenzylidene)amino]-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-[(3-bromobenzylidene)amino]-5-phenyl-4H-1,2,4-triazole-3-thiol is 357.98877 g/mol.
Where can I buy 4-[(3-bromobenzylidene)amino]-5-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-[(3-bromobenzylidene)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-[(3-bromobenzylidene)amino]-5-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 4-[(3-bromobenzylidene)amino]-5-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.