4-amino-5-(3-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-amino-5-(3-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol (CAS 852933-97-2) is a chemical compound with molecular formula C10H12N4O2S and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-[(3-methoxyphenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-amino-5-(3-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol, 4-amino-5-[(3-methoxyphenoxy)methyl]-4H-1,2,4-triazole-3-thiol, 4-amino-3-[(3-methoxyphenoxy)methyl]-1H-1,2,4-triazole-5-thione, 4-amino-5-(3-methoxyphenoxymethyl)-2H-1,2,4-triazole-3-thione
| Molecular Formula | C10H12N4O2S |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 1.24209 |
| Topological Polar Surface Area | 78.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.0681 |
| Heavy Atoms | 17 |
| Complexity | 563.4287 |
Chemical Identifiers
| CAS Number | 852933-97-2 |
|---|---|
| SMILES | COC1=CC(=CC=C1)OCC2=NNC(=S)N2N |
Product Overview
4-amino-5-(3-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol (CAS 852933-97-2), with molecular formula C10H12N4O2S and molecular weight 252.07 g/mol. IUPAC: 4-amino-3-[(3-methoxyphenoxy)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-amino-5-(3-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-amino-5-(3-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 1.24209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-5-(3-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol. The TPSA of 78.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-5-(3-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-amino-5-(3-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol has 2 hydrogen bond donor(s) and 5 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-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-amino-5-(3-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol is 852933-97-2.
What is the molecular formula of 4-amino-5-(3-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-amino-5-(3-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol is C10H12N4O2S.
What is the molecular weight of 4-amino-5-(3-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-amino-5-(3-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol is 252.07 g/mol.
Where can I buy 4-amino-5-(3-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-amino-5-(3-methoxyphenoxymethyl)-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-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-5-(3-methoxyphenoxymethyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.