2,4-Dihydro-5-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione
TL;DR: 2,4-Dihydro-5-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione (CAS 126016-45-3) is a chemical compound with molecular formula C22H15BrN4S and molecular weight 446.02008 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 2,4-Dihydro-5-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-, 3H-1,2,4-Triazole-3-thione,5-(5-bromo-3-phenyl-1H-indol-2-yl)-2,4-dihydro-4-phenyl-, 5-(5-bromo-3-phenylindol-2-ylidene)-4-phenyl-1,2,4-triazolidine-3-thione, (5E)-5-(5-bromo-3-phenylindol-2-ylidene)-4-phenyl-1,2,4-triazolidine-3-thione
Technical Specifications
| Molecular Formula | C22H15BrN4S |
| Molecular Weight | 446.02008 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 75.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 446.02008 Da |
| Heavy Atoms | 28 |
| Complexity | 614.0 |
| SMILES | C1=CC=C(C=C1)C2=C(NC3=C2C=C(C=C3)Br)C4=NNC(=S)N4C5=CC=CC=C5 |
| InChIKey | NYXQBBQUOJHAMQ-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-Dihydro-5-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione
Property Insights of 2,4-Dihydro-5-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione
The XLogP value of 6.0 indicates that 2,4-Dihydro-5-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dihydro-5-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 2,4-Dihydro-5-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2,4-Dihydro-5-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione?
The CAS number of 2,4-Dihydro-5-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione is 126016-45-3.
What is the molecular formula of 2,4-Dihydro-5-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione?
The molecular formula of 2,4-Dihydro-5-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione is C22H15BrN4S.
What is the molecular weight of 2,4-Dihydro-5-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione?
The molecular weight of 2,4-Dihydro-5-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione is 446.02008 g/mol.
Where can I buy 2,4-Dihydro-5-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione?
You can request a quote for 2,4-Dihydro-5-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Dihydro-5-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione?
Yes, CoreyChem provides custom synthesis services for 2,4-Dihydro-5-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.