4-Amino-5-((4-chlorophenoxy)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 4-Amino-5-((4-chlorophenoxy)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 4413-43-8) is a chemical compound with molecular formula C9H9ClN4OS and molecular weight 256.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-amino-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol, 4-amino-3-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazole-5-thione, J1.178.639A, 4-triazole-3-thione,2,4-dihydro-4-amino-5-((4-chlorophenoxy)methyl)-3h-2, 2,4-Dihydro-4-amino-5-((4-chlorophenoxy)methyl)-3H-1,2,4-triazole-3-thione
| Molecular Formula | C9H9ClN4OS |
|---|---|
| Molecular Weight | 256.02 g/mol |
| LogP | 1.88689 |
| Topological Polar Surface Area | 68.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.01855 |
| Heavy Atoms | 16 |
| Complexity | 533.1872 |
Chemical Identifiers
| CAS Number | 4413-43-8 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC2=NNC(=S)N2N)Cl |
Product Overview
4-Amino-5-((4-chlorophenoxy)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 4413-43-8), with molecular formula C9H9ClN4OS and molecular weight 256.02 g/mol. IUPAC: 4-amino-3-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-Amino-5-((4-chlorophenoxy)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 4-Amino-5-((4-chlorophenoxy)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 1.88689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-5-((4-chlorophenoxy)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione. The TPSA of 68.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-5-((4-chlorophenoxy)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 4-Amino-5-((4-chlorophenoxy)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-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-5-((4-chlorophenoxy)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 4-Amino-5-((4-chlorophenoxy)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 4413-43-8.
What is the molecular formula of 4-Amino-5-((4-chlorophenoxy)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 4-Amino-5-((4-chlorophenoxy)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is C9H9ClN4OS.
What is the molecular weight of 4-Amino-5-((4-chlorophenoxy)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 4-Amino-5-((4-chlorophenoxy)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 256.02 g/mol.
Where can I buy 4-Amino-5-((4-chlorophenoxy)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 4-Amino-5-((4-chlorophenoxy)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-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-5-((4-chlorophenoxy)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-5-((4-chlorophenoxy)methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.