1H-1,2,4-Triazole-3-thiol, 5-(2-pyrazinyl)-
TL;DR: 1H-1,2,4-Triazole-3-thiol, 5-(2-pyrazinyl)- (CAS 3458-03-5) is a chemical compound with molecular formula C6H5N5S and molecular weight 179.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-pyrazin-2-yl-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: 1H-1,2,4-Triazole-3-thiol, 5-(2-pyrazinyl)-, 5-(2-Pyrazinyl)-1H-1,2,4-triazole-3-thiol, 5-pyrazin-2-yl-1,2-dihydro-1,2,4-triazole-3-thione, 5-(2-pyrazinyl)-4H-1,2,4-triazole-3-thiol, 5-(Pyrazin-2-yl)-1H-1,2,4-triazole-3-thiol
| Molecular Formula | C6H5N5S |
|---|---|
| Molecular Weight | 179.03 g/mol |
| LogP | 0.92429 |
| Topological Polar Surface Area | 70.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.02657 |
| Heavy Atoms | 12 |
| Complexity | 416.75842 |
Chemical Identifiers
| CAS Number | 3458-03-5 |
|---|---|
| SMILES | C1=CN=C(C=N1)C2=NC(=S)NN2 |
Product Overview
1H-1,2,4-Triazole-3-thiol, 5-(2-pyrazinyl)- (CAS 3458-03-5), with molecular formula C6H5N5S and molecular weight 179.03 g/mol. IUPAC: 5-pyrazin-2-yl-1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of 1H-1,2,4-Triazole-3-thiol, 5-(2-pyrazinyl)-
Property Insights of 1H-1,2,4-Triazole-3-thiol, 5-(2-pyrazinyl)-
The XLogP value of 0.92429 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole-3-thiol, 5-(2-pyrazinyl)-. The TPSA of 70.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole-3-thiol, 5-(2-pyrazinyl)-. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole-3-thiol, 5-(2-pyrazinyl)- has 2 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 1H-1,2,4-Triazole-3-thiol, 5-(2-pyrazinyl)-?
The CAS number of 1H-1,2,4-Triazole-3-thiol, 5-(2-pyrazinyl)- is 3458-03-5.
What is the molecular formula of 1H-1,2,4-Triazole-3-thiol, 5-(2-pyrazinyl)-?
The molecular formula of 1H-1,2,4-Triazole-3-thiol, 5-(2-pyrazinyl)- is C6H5N5S.
What is the molecular weight of 1H-1,2,4-Triazole-3-thiol, 5-(2-pyrazinyl)-?
The molecular weight of 1H-1,2,4-Triazole-3-thiol, 5-(2-pyrazinyl)- is 179.03 g/mol.
Where can I buy 1H-1,2,4-Triazole-3-thiol, 5-(2-pyrazinyl)-?
You can request a quote for 1H-1,2,4-Triazole-3-thiol, 5-(2-pyrazinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole-3-thiol, 5-(2-pyrazinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole-3-thiol, 5-(2-pyrazinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.