4-(2-methoxyethyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(2-methoxyethyl)-4H-1,2,4-triazole-3-thiol (CAS 76457-78-8) is a chemical compound with molecular formula C5H9N3OS and molecular weight 159.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methoxyethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(2-methoxyethyl)-4H-1,2,4-triazole-3-thiol, 4-(2-methoxyethyl)-1H-1,2,4-triazole-5-thione, 4-(2-methoxyethyl)-2H-1,2,4-triazole-3-thione, 4-(2-Methoxyethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 862-311-5
| Molecular Formula | C5H9N3OS |
|---|---|
| Molecular Weight | 159.05 g/mol |
| LogP | 0.58709 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.04663 |
| Heavy Atoms | 10 |
| Complexity | 241.04114 |
Chemical Identifiers
| CAS Number | 76457-78-8 |
|---|---|
| SMILES | COCCN1C=NNC1=S |
Product Overview
4-(2-methoxyethyl)-4H-1,2,4-triazole-3-thiol (CAS 76457-78-8), with molecular formula C5H9N3OS and molecular weight 159.05 g/mol. IUPAC: 4-(2-methoxyethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2-methoxyethyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(2-methoxyethyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 0.58709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-methoxyethyl)-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 42.84 Ų, 4-(2-methoxyethyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-methoxyethyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 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-(2-methoxyethyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(2-methoxyethyl)-4H-1,2,4-triazole-3-thiol is 76457-78-8.
What is the molecular formula of 4-(2-methoxyethyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(2-methoxyethyl)-4H-1,2,4-triazole-3-thiol is C5H9N3OS.
What is the molecular weight of 4-(2-methoxyethyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(2-methoxyethyl)-4H-1,2,4-triazole-3-thiol is 159.05 g/mol.
Where can I buy 4-(2-methoxyethyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(2-methoxyethyl)-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-(2-methoxyethyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-methoxyethyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.