![5,7,9-Trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol structure](/static/products/3156/315677-92-0.webp)
5,7,9-Trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol
TL;DR: 5,7,9-Trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol (CAS 315677-92-0) is a chemical compound with molecular formula C13H13N3S and molecular weight 243.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7,9-trimethyl-2H-[1,2,4]triazolo[4,3-a]quinoline-1-thione
Also Known As: 5,7,9-Trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol, SDCCGSBI-0661099.P001, 5,7,9-trimethyl-2H-[1,2,4]triazolo[4,3-a]quinoline-1-thione, 5,7,9-trimethyl[1,2,4]triazolo[4,3-a]quinoline-1(2H)-thione, 5,7,9-trimethyl-10-hydro-2H-1,2,4-triazolino[4,3-a]quinoline-1-thione
| Molecular Formula | C13H13N3S |
|---|---|
| Molecular Weight | 243.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 243.08302 |
| Heavy Atoms | 17 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 315677-92-0 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)C(=CC3=NNC(=S)N32)C)C |
| InChIKey | ICVNTNDWRJGXMB-UHFFFAOYSA-N |
Product Overview
5,7,9-Trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol (CAS 315677-92-0), with molecular formula C13H13N3S and molecular weight 243.08 g/mol. IUPAC: 5,7,9-trimethyl-2H-[1,2,4]triazolo[4,3-a]quinoline-1-thione.
Chemical Property Profile of 5,7,9-Trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol
Property Insights of 5,7,9-Trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7,9-Trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol. With a topological polar surface area (TPSA) of 59.7 Ų, 5,7,9-Trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7,9-Trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol has 1 hydrogen bond donor(s) and 2 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 5,7,9-Trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol?
The CAS number of 5,7,9-Trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol is 315677-92-0.
What is the molecular formula of 5,7,9-Trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol?
The molecular formula of 5,7,9-Trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol is C13H13N3S.
What is the molecular weight of 5,7,9-Trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol?
The molecular weight of 5,7,9-Trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol is 243.08 g/mol.
Where can I buy 5,7,9-Trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol?
You can request a quote for 5,7,9-Trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7,9-Trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5,7,9-Trimethyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.