![4-amino-5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4H-1,2,4-triazole-3-thiol structure](/static/products/1869/186956-55-8.webp)
4-amino-5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4H-1,2,4-triazole-3-thiol
TL;DR: 4-amino-5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4H-1,2,4-triazole-3-thiol (CAS 186956-55-8) is a chemical compound with molecular formula C13H18N4OS and molecular weight 278.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-amino-5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4H-1,2,4-triazole-3-thiol, 4-amino-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazole-5-thione, 4-amino-5-[(2-isopropyl-5-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol, 4-Amino-5-((2-isopropyl-5-methylphenoxy)methyl)-4h-1,2,4-triazole-3-thiol, 4-amino-3-[(2-isopropyl-5-methyl-phenoxy)methyl]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C13H18N4OS |
|---|---|
| Molecular Weight | 278.12 g/mol |
| LogP | 2.66531 |
| Topological Polar Surface Area | 68.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.12012 |
| Heavy Atoms | 19 |
| Complexity | 629.8137 |
Chemical Identifiers
| CAS Number | 186956-55-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OCC2=NNC(=S)N2N |
Product Overview
4-amino-5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4H-1,2,4-triazole-3-thiol (CAS 186956-55-8), with molecular formula C13H18N4OS and molecular weight 278.12 g/mol. IUPAC: 4-amino-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-amino-5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4H-1,2,4-triazole-3-thiol
Property Insights of 4-amino-5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.66531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-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-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-amino-5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-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-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-amino-5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4H-1,2,4-triazole-3-thiol is 186956-55-8.
What is the molecular formula of 4-amino-5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-amino-5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4H-1,2,4-triazole-3-thiol is C13H18N4OS.
What is the molecular weight of 4-amino-5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-amino-5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4H-1,2,4-triazole-3-thiol is 278.12 g/mol.
Where can I buy 4-amino-5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-amino-5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-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-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-5-[5-methyl-2-(propan-2-yl)phenoxymethyl]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.