4-Ethyl-1-methyl-5-(2-pyrazinyl)-1,2-dihydro-3H-1,2,4lambda(5)-triazole-3-thione
TL;DR: 4-Ethyl-1-methyl-5-(2-pyrazinyl)-1,2-dihydro-3H-1,2,4lambda(5)-triazole-3-thione (CAS 79998-03-1) is a chemical compound with molecular formula C9H12N5S+ and molecular weight 222.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-2-methyl-3-pyrazin-2-yl-1H-1,2,4-triazol-4-ium-5-thione
Also Known As: 4-Ethyl-1-methyl-5-(2-pyrazinyl)-1,2-dihydro-3H-1,2,4lambda(5)-triazole-3-thione, 4-ethyl-2-methyl-3-pyrazin-2-yl-1H-1,2,4-triazol-4-ium-5-thione, 4-Ethyl-1-methyl-5-(2-pyrazinyl)-1,2-dihydro-3H-1,2,4.lambda.~5~-triazole-3-thione, 4-Ethyl-1-methyl-5-(pyrazin-2-yl)-3-sulfanylidene-2,3-dihydro-1H-1,2,4-triazol-4-ium
| Molecular Formula | C9H12N5S+ |
|---|---|
| Molecular Weight | 222.08 g/mol |
| LogP | 0.84709 |
| Topological Polar Surface Area | 50.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.08134 |
| Heavy Atoms | 15 |
| Complexity | 513.0441 |
Chemical Identifiers
| CAS Number | 79998-03-1 |
|---|---|
| SMILES | CC[N+]1=C(N(NC1=S)C)C2=NC=CN=C2 |
Product Overview
4-Ethyl-1-methyl-5-(2-pyrazinyl)-1,2-dihydro-3H-1,2,4lambda(5)-triazole-3-thione (CAS 79998-03-1), with molecular formula C9H12N5S+ and molecular weight 222.08 g/mol. IUPAC: 4-ethyl-2-methyl-3-pyrazin-2-yl-1H-1,2,4-triazol-4-ium-5-thione.
Chemical Property Profile of 4-Ethyl-1-methyl-5-(2-pyrazinyl)-1,2-dihydro-3H-1,2,4lambda(5)-triazole-3-thione
Property Insights of 4-Ethyl-1-methyl-5-(2-pyrazinyl)-1,2-dihydro-3H-1,2,4lambda(5)-triazole-3-thione
The XLogP value of 0.84709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-1-methyl-5-(2-pyrazinyl)-1,2-dihydro-3H-1,2,4lambda(5)-triazole-3-thione. With a topological polar surface area (TPSA) of 50.38 Ų, 4-Ethyl-1-methyl-5-(2-pyrazinyl)-1,2-dihydro-3H-1,2,4lambda(5)-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-1-methyl-5-(2-pyrazinyl)-1,2-dihydro-3H-1,2,4lambda(5)-triazole-3-thione 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-Ethyl-1-methyl-5-(2-pyrazinyl)-1,2-dihydro-3H-1,2,4lambda(5)-triazole-3-thione?
The CAS number of 4-Ethyl-1-methyl-5-(2-pyrazinyl)-1,2-dihydro-3H-1,2,4lambda(5)-triazole-3-thione is 79998-03-1.
What is the molecular formula of 4-Ethyl-1-methyl-5-(2-pyrazinyl)-1,2-dihydro-3H-1,2,4lambda(5)-triazole-3-thione?
The molecular formula of 4-Ethyl-1-methyl-5-(2-pyrazinyl)-1,2-dihydro-3H-1,2,4lambda(5)-triazole-3-thione is C9H12N5S+.
What is the molecular weight of 4-Ethyl-1-methyl-5-(2-pyrazinyl)-1,2-dihydro-3H-1,2,4lambda(5)-triazole-3-thione?
The molecular weight of 4-Ethyl-1-methyl-5-(2-pyrazinyl)-1,2-dihydro-3H-1,2,4lambda(5)-triazole-3-thione is 222.08 g/mol.
Where can I buy 4-Ethyl-1-methyl-5-(2-pyrazinyl)-1,2-dihydro-3H-1,2,4lambda(5)-triazole-3-thione?
You can request a quote for 4-Ethyl-1-methyl-5-(2-pyrazinyl)-1,2-dihydro-3H-1,2,4lambda(5)-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl-1-methyl-5-(2-pyrazinyl)-1,2-dihydro-3H-1,2,4lambda(5)-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-1-methyl-5-(2-pyrazinyl)-1,2-dihydro-3H-1,2,4lambda(5)-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.