![5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol structure](/static/products/2024/20240-58-8.webp)
5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 20240-58-8) is a chemical compound with molecular formula C11H13N3O2S and molecular weight 251.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methoxyphenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol, BAS 02562751, AKOS BBS-00000455, 4196AE, 4-(3-Bromobut-3-en-1-yl)bromobenzene
| Molecular Formula | C11H13N3O2S |
|---|---|
| Molecular Weight | 251.07 g/mol |
| LogP | 2.06529 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.07285 |
| Heavy Atoms | 17 |
| Complexity | 544.58936 |
Chemical Identifiers
| CAS Number | 20240-58-8 |
|---|---|
| SMILES | CN1C(=NNC1=S)COC2=CC=C(C=C2)OC |
Product Overview
5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 20240-58-8), with molecular formula C11H13N3O2S and molecular weight 251.07 g/mol. IUPAC: 3-[(4-methoxyphenoxy)methyl]-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.06529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 52.07 Ų, 5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol has 1 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 5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol is 20240-58-8.
What is the molecular formula of 5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol is C11H13N3O2S.
What is the molecular weight of 5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol is 251.07 g/mol.
Where can I buy 5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-[(4-methoxyphenoxy)methyl]-4-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 5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.