4-Amino-5-pyrazin-2-YL-4H-1,2,4-triazole-3-thiol
TL;DR: 4-Amino-5-pyrazin-2-YL-4H-1,2,4-triazole-3-thiol (CAS 124991-69-1) is a chemical compound with molecular formula C6H6N6S and molecular weight 194.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-pyrazin-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: Deditoniumbromide, 4-amino-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol, 4-AMINO-5-PYRAZIN-2-YL-4H-1,2,4-TRIAZOLE-3-THIOL, 4-amino-3-pyrazin-2-yl-1H-1,2,4-triazole-5-thione, 4H-1,2,4-Triazole-3-thiol, 4-amino-5-pyrazinyl-
| Molecular Formula | C6H6N6S |
|---|---|
| Molecular Weight | 194.04 g/mol |
| LogP | 0.11149 |
| Topological Polar Surface Area | 85.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.03746 |
| Heavy Atoms | 13 |
| Complexity | 457.47675 |
Chemical Identifiers
| CAS Number | 124991-69-1 |
|---|---|
| SMILES | C1=CN=C(C=N1)C2=NNC(=S)N2N |
Product Overview
4-Amino-5-pyrazin-2-YL-4H-1,2,4-triazole-3-thiol (CAS 124991-69-1), with molecular formula C6H6N6S and molecular weight 194.04 g/mol. IUPAC: 4-amino-3-pyrazin-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-Amino-5-pyrazin-2-YL-4H-1,2,4-triazole-3-thiol
Property Insights of 4-Amino-5-pyrazin-2-YL-4H-1,2,4-triazole-3-thiol
The XLogP value of 0.11149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-5-pyrazin-2-YL-4H-1,2,4-triazole-3-thiol. The TPSA of 85.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-5-pyrazin-2-YL-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-Amino-5-pyrazin-2-YL-4H-1,2,4-triazole-3-thiol has 2 hydrogen bond donor(s) and 5 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-Amino-5-pyrazin-2-YL-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-Amino-5-pyrazin-2-YL-4H-1,2,4-triazole-3-thiol is 124991-69-1.
What is the molecular formula of 4-Amino-5-pyrazin-2-YL-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-Amino-5-pyrazin-2-YL-4H-1,2,4-triazole-3-thiol is C6H6N6S.
What is the molecular weight of 4-Amino-5-pyrazin-2-YL-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-Amino-5-pyrazin-2-YL-4H-1,2,4-triazole-3-thiol is 194.04 g/mol.
Where can I buy 4-Amino-5-pyrazin-2-YL-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-Amino-5-pyrazin-2-YL-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-Amino-5-pyrazin-2-YL-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-5-pyrazin-2-YL-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.