5-Methyl(1,2,4)triazolo(4,3-a)quinoline-1(2H)-thione
TL;DR: 5-Methyl(1,2,4)triazolo(4,3-a)quinoline-1(2H)-thione (CAS 35556-08-2) is a chemical compound with molecular formula C11H9N3S and molecular weight 215.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2H-[1,2,4]triazolo[4,3-a]quinoline-1-thione
Also Known As: 5-Methyl-[1,2,4]triazolo[4,3-a]quinoline-1-thiol, 5-methyl[1,2,4]triazolo[4,3-a]quinoline-1-thiol, 5-methyl-2H-[1,2,4]triazolo[4,3-a]quinoline-1-thione, SDCCGSBI-0659568.P001, 5-methyl[1,2,4]triazolo[4,3-a]quinoline-1(2H)-thione
| Molecular Formula | C11H9N3S |
|---|---|
| Molecular Weight | 215.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 215.05171 |
| Heavy Atoms | 15 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 35556-08-2 |
|---|---|
| SMILES | CC1=CC2=NNC(=S)N2C3=CC=CC=C13 |
| InChIKey | VSUPYSJUZGXREB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl(1,2,4)triazolo(4,3-a)quinoline-1(2H)-thione (CAS 35556-08-2), with molecular formula C11H9N3S and molecular weight 215.05 g/mol. IUPAC: 5-methyl-2H-[1,2,4]triazolo[4,3-a]quinoline-1-thione.
Chemical Property Profile of 5-Methyl(1,2,4)triazolo(4,3-a)quinoline-1(2H)-thione
Property Insights of 5-Methyl(1,2,4)triazolo(4,3-a)quinoline-1(2H)-thione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl(1,2,4)triazolo(4,3-a)quinoline-1(2H)-thione. With a topological polar surface area (TPSA) of 59.7 Ų, 5-Methyl(1,2,4)triazolo(4,3-a)quinoline-1(2H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl(1,2,4)triazolo(4,3-a)quinoline-1(2H)-thione 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-Methyl(1,2,4)triazolo(4,3-a)quinoline-1(2H)-thione?
The CAS number of 5-Methyl(1,2,4)triazolo(4,3-a)quinoline-1(2H)-thione is 35556-08-2.
What is the molecular formula of 5-Methyl(1,2,4)triazolo(4,3-a)quinoline-1(2H)-thione?
The molecular formula of 5-Methyl(1,2,4)triazolo(4,3-a)quinoline-1(2H)-thione is C11H9N3S.
What is the molecular weight of 5-Methyl(1,2,4)triazolo(4,3-a)quinoline-1(2H)-thione?
The molecular weight of 5-Methyl(1,2,4)triazolo(4,3-a)quinoline-1(2H)-thione is 215.05 g/mol.
Where can I buy 5-Methyl(1,2,4)triazolo(4,3-a)quinoline-1(2H)-thione?
You can request a quote for 5-Methyl(1,2,4)triazolo(4,3-a)quinoline-1(2H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl(1,2,4)triazolo(4,3-a)quinoline-1(2H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl(1,2,4)triazolo(4,3-a)quinoline-1(2H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.