![4-methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol structure](/static/products/3387/338786-78-0.webp)
4-methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
TL;DR: 4-methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol (CAS 338786-78-0) is a chemical compound with molecular formula C8H12N6S and molecular weight 224.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol, 4-methyl-5-[2-(1H-1,2,4-triazol-1-yl)propan-2-yl]-4H-1,2,4-triazole-3-thiol, 6F-066, 4-methyl-3-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-thione, 4-methyl-3-[1-methyl-1-(1,2,4-triazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C8H12N6S |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | 0.85259 |
| Topological Polar Surface Area | 64.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.08441 |
| Heavy Atoms | 15 |
| Complexity | 505.47433 |
Chemical Identifiers
| CAS Number | 338786-78-0 |
|---|---|
| SMILES | CC(C)(C1=NNC(=S)N1C)N2C=NC=N2 |
Product Overview
4-methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol (CAS 338786-78-0), with molecular formula C8H12N6S and molecular weight 224.08 g/mol. IUPAC: 4-methyl-3-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Property Insights of 4-methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
The XLogP value of 0.85259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol. The TPSA of 64.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-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 4-methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol is 338786-78-0.
What is the molecular formula of 4-methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol is C8H12N6S.
What is the molecular weight of 4-methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol is 224.08 g/mol.
Where can I buy 4-methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-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-methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-5-[1-methyl-1-(1H-1,2,4-triazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.