5-Isopropyl-4-(2-methoxyethyl)-4h-1,2,4-triazole-3-thiol
TL;DR: 5-Isopropyl-4-(2-methoxyethyl)-4h-1,2,4-triazole-3-thiol (CAS 879074-40-5) is a chemical compound with molecular formula C8H15N3OS and molecular weight 201.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methoxyethyl)-3-propan-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: ASN 15425042, 5-Isopropyl-4-(2-methoxyethyl)-4h-1,2,4-triazole-3-thiol, 4-(2-methoxyethyl)-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol, 3-isopropyl-4-(2-methoxyethyl)-1H-1,2,4-triazole-5-thione, 5-Isopropyl-4-(2-methoxy-ethyl)-4H-[1,2,4]triazole-3-thiol
| Molecular Formula | C8H15N3OS |
|---|---|
| Molecular Weight | 201.09 g/mol |
| LogP | 1.71049 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 201.09358 |
| Heavy Atoms | 13 |
| Complexity | 315.4342 |
Chemical Identifiers
| CAS Number | 879074-40-5 |
|---|---|
| SMILES | CC(C)C1=NNC(=S)N1CCOC |
Product Overview
5-Isopropyl-4-(2-methoxyethyl)-4h-1,2,4-triazole-3-thiol (CAS 879074-40-5), with molecular formula C8H15N3OS and molecular weight 201.09 g/mol. IUPAC: 4-(2-methoxyethyl)-3-propan-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-Isopropyl-4-(2-methoxyethyl)-4h-1,2,4-triazole-3-thiol
Property Insights of 5-Isopropyl-4-(2-methoxyethyl)-4h-1,2,4-triazole-3-thiol
The XLogP value of 1.71049 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isopropyl-4-(2-methoxyethyl)-4h-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 42.84 Ų, 5-Isopropyl-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, 5-Isopropyl-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 5-Isopropyl-4-(2-methoxyethyl)-4h-1,2,4-triazole-3-thiol?
The CAS number of 5-Isopropyl-4-(2-methoxyethyl)-4h-1,2,4-triazole-3-thiol is 879074-40-5.
What is the molecular formula of 5-Isopropyl-4-(2-methoxyethyl)-4h-1,2,4-triazole-3-thiol?
The molecular formula of 5-Isopropyl-4-(2-methoxyethyl)-4h-1,2,4-triazole-3-thiol is C8H15N3OS.
What is the molecular weight of 5-Isopropyl-4-(2-methoxyethyl)-4h-1,2,4-triazole-3-thiol?
The molecular weight of 5-Isopropyl-4-(2-methoxyethyl)-4h-1,2,4-triazole-3-thiol is 201.09 g/mol.
Where can I buy 5-Isopropyl-4-(2-methoxyethyl)-4h-1,2,4-triazole-3-thiol?
You can request a quote for 5-Isopropyl-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 5-Isopropyl-4-(2-methoxyethyl)-4h-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-Isopropyl-4-(2-methoxyethyl)-4h-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.