1H-1,2,4-Triazole-3-thiol, 5-(4-quinolyl)-
TL;DR: 1H-1,2,4-Triazole-3-thiol, 5-(4-quinolyl)- (CAS 3770-46-5) is a chemical compound with molecular formula C11H8N4S and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-quinolin-4-yl-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: 1H-1,2,4-Triazole-3-thiol, 5-(4-quinolyl)-, 5-(4-Quinolyl)-1H-1,2,4-triazole-3-thiol, s-Triazole-3-thiol, 5-(4-quinolyl)-, Quinoline, 4-(3-mercapto-1H-1,2,4-triazol-5-yl)-, 5-quinolin-4-yl-1,2,4-triazole-3-thiol
| Molecular Formula | C11H8N4S |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 2.68249 |
| Topological Polar Surface Area | 57.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.04697 |
| Heavy Atoms | 16 |
| Complexity | 692.776 |
Chemical Identifiers
| CAS Number | 3770-46-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=N2)C3=NC(=S)NN3 |
Product Overview
1H-1,2,4-Triazole-3-thiol, 5-(4-quinolyl)- (CAS 3770-46-5), with molecular formula C11H8N4S and molecular weight 228.05 g/mol. IUPAC: 5-quinolin-4-yl-1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of 1H-1,2,4-Triazole-3-thiol, 5-(4-quinolyl)-
Property Insights of 1H-1,2,4-Triazole-3-thiol, 5-(4-quinolyl)-
The XLogP value of 2.68249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole-3-thiol, 5-(4-quinolyl)-. With a topological polar surface area (TPSA) of 57.36 Ų, 1H-1,2,4-Triazole-3-thiol, 5-(4-quinolyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole-3-thiol, 5-(4-quinolyl)- has 2 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 1H-1,2,4-Triazole-3-thiol, 5-(4-quinolyl)-?
The CAS number of 1H-1,2,4-Triazole-3-thiol, 5-(4-quinolyl)- is 3770-46-5.
What is the molecular formula of 1H-1,2,4-Triazole-3-thiol, 5-(4-quinolyl)-?
The molecular formula of 1H-1,2,4-Triazole-3-thiol, 5-(4-quinolyl)- is C11H8N4S.
What is the molecular weight of 1H-1,2,4-Triazole-3-thiol, 5-(4-quinolyl)-?
The molecular weight of 1H-1,2,4-Triazole-3-thiol, 5-(4-quinolyl)- is 228.05 g/mol.
Where can I buy 1H-1,2,4-Triazole-3-thiol, 5-(4-quinolyl)-?
You can request a quote for 1H-1,2,4-Triazole-3-thiol, 5-(4-quinolyl)- 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-(4-quinolyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole-3-thiol, 5-(4-quinolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.