4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 98010-52-7) is a chemical compound with molecular formula C12H9N5S and molecular weight 255.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-3-pyrazin-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol, 4-phenyl-3-pyrazin-2-yl-1H-1,2,4-triazole-5-thione, BAS 09531343, 4-Phenyl-5-pyrazin-2-yl-4H-[1,2,4]triazole-3-thiol, 4-phenyl-5-pyrazin-2-yl-1,2,4-triazole-3-thiol
| Molecular Formula | C12H9N5S |
|---|---|
| Molecular Weight | 255.06 g/mol |
| LogP | 2.38689 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.05786 |
| Heavy Atoms | 18 |
| Complexity | 702.0925 |
Chemical Identifiers
| CAS Number | 98010-52-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)C3=NC=CN=C3 |
Product Overview
4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol (CAS 98010-52-7), with molecular formula C12H9N5S and molecular weight 255.06 g/mol. IUPAC: 4-phenyl-3-pyrazin-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.38689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 59.39 Ų, 4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-phenyl-5-(pyrazin-2-yl)-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-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol is 98010-52-7.
What is the molecular formula of 4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol is C12H9N5S.
What is the molecular weight of 4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol is 255.06 g/mol.
Where can I buy 4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-phenyl-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-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-phenyl-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.