![4-amino-3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazole-5-thione structure](/static/products/1187/118794-56-2.webp)
4-amino-3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazole-5-thione
TL;DR: 4-amino-3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazole-5-thione (CAS 118794-56-2) is a chemical compound with molecular formula C9H9BrN4OS and molecular weight 299.96805 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: BAS 02592420, 4-amino-3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazole-5-thione, 4-amino-3-(4-bromophenoxymethyl)-5-mercapto-1,2,4-triazole, 4-amino-5-((4-bromophenoxy)methyl)-4H-1,2,4-triazole-3-thiol, 4-Amino-5-(4-bromo-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol
Technical Specifications
| Molecular Formula | C9H9BrN4OS |
| Molecular Weight | 299.96805 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 95.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.96805 Da |
| Heavy Atoms | 16 |
| Complexity | 304.0 |
| SMILES | C1=CC(=CC=C1OCC2=NNC(=S)N2N)Br |
| InChIKey | LSCZLBGNNPCQIC-UHFFFAOYSA-N |
Chemical Property Profile of 4-amino-3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazole-5-thione
Property Insights of 4-amino-3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazole-5-thione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazole-5-thione. The TPSA of 95.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-amino-3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazole-5-thione has 2 hydrogen bond donor(s) and 4 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-amino-3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazole-5-thione?
The CAS number of 4-amino-3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazole-5-thione is 118794-56-2.
What is the molecular formula of 4-amino-3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-amino-3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazole-5-thione is C9H9BrN4OS.
What is the molecular weight of 4-amino-3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-amino-3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazole-5-thione is 299.96805 g/mol.
Where can I buy 4-amino-3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-amino-3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazole-5-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-amino-3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazole-5-thione?
Yes, CoreyChem provides custom synthesis services for 4-amino-3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.