![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 299.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C9H9BrN4OS |
|---|---|
| Molecular Weight | 299.97 g/mol |
| LogP | 1.99599 |
| Topological Polar Surface Area | 68.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.96805 |
| Heavy Atoms | 16 |
| Complexity | 533.1872 |
Chemical Identifiers
| CAS Number | 118794-56-2 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC2=NNC(=S)N2N)Br |
Product Overview
4-amino-3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazole-5-thione (CAS 118794-56-2), with molecular formula C9H9BrN4OS and molecular weight 299.97 g/mol. IUPAC: 4-amino-3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazole-5-thione.
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 1.99599 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 68.86 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
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 299.97 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-3-[(4-bromophenoxy)methyl]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO 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.