![4-amino-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol structure](/static/products/3018/301-80-4.webp)
4-amino-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
TL;DR: 4-amino-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol (CAS 301-80-4) is a chemical compound with molecular formula C11H14N4OS and molecular weight 250.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-[(3,4-dimethylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-amino-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol, 4-amino-3-[(3,4-dimethylphenoxy)methyl]-1H-1,2,4-triazole-5-thione, 4-Amino-5-((3,4-dimethylphenoxy)methyl)-4H-1,2,4-triazole-3-thiol, 4H-1,2,4-triazole-3-thiol, 4-amino-5-[(3,4-dimethylphenoxy)methyl]-, 4-Amino-5-(3,4-dimethylphenoxy)methyl-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C11H14N4OS |
|---|---|
| Molecular Weight | 250.09 g/mol |
| LogP | 1.85033 |
| Topological Polar Surface Area | 68.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.08884 |
| Heavy Atoms | 17 |
| Complexity | 587.39764 |
Chemical Identifiers
| CAS Number | 301-80-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OCC2=NNC(=S)N2N)C |
Product Overview
4-amino-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol (CAS 301-80-4), with molecular formula C11H14N4OS and molecular weight 250.09 g/mol. IUPAC: 4-amino-3-[(3,4-dimethylphenoxy)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-amino-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
Property Insights of 4-amino-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
The XLogP value of 1.85033 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol. The TPSA of 68.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-amino-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol 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-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-amino-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol is 301-80-4.
What is the molecular formula of 4-amino-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-amino-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol is C11H14N4OS.
What is the molecular weight of 4-amino-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-amino-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol is 250.09 g/mol.
Where can I buy 4-amino-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-amino-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol 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-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-5-[(3,4-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.