Quinoline, 2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-, hydrochloride
TL;DR: Quinoline, 2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-, hydrochloride (CAS 87236-37-1) is a chemical compound with molecular formula C12H11ClN4S and molecular weight 278.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]quinoline;hydrochloride
Also Known As: Quinoline, 2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-, hydrochloride, 2-((5-Methyl-4H-1,2,4-triazol-3-yl)thio)quinoline hydrochloride, 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]quinoline hydrochloride, 2-[(5-Methyl-1H-1,2,4-triazol-3-yl)sulfanyl]quinoline--hydrogen chloride (1/1), RefChem:378510
| Molecular Formula | C12H11ClN4S |
|---|---|
| Molecular Weight | 278.04 g/mol |
| LogP | 3.23432 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.0393 |
| Heavy Atoms | 18 |
| Complexity | 667.7411 |
Chemical Identifiers
| CAS Number | 87236-37-1 |
|---|---|
| SMILES | CC1=NC(=NN1)SC2=NC3=CC=CC=C3C=C2.Cl |
Product Overview
Quinoline, 2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-, hydrochloride (CAS 87236-37-1), with molecular formula C12H11ClN4S and molecular weight 278.04 g/mol. IUPAC: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]quinoline;hydrochloride.
Chemical Property Profile of Quinoline, 2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-, hydrochloride
Property Insights of Quinoline, 2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-, hydrochloride
The XLogP value of 3.23432 indicates that Quinoline, 2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.46 Ų, Quinoline, 2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinoline, 2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-, hydrochloride 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 Quinoline, 2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-, hydrochloride?
The CAS number of Quinoline, 2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-, hydrochloride is 87236-37-1.
What is the molecular formula of Quinoline, 2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-, hydrochloride?
The molecular formula of Quinoline, 2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-, hydrochloride is C12H11ClN4S.
What is the molecular weight of Quinoline, 2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-, hydrochloride?
The molecular weight of Quinoline, 2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-, hydrochloride is 278.04 g/mol.
Where can I buy Quinoline, 2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-, hydrochloride?
You can request a quote for Quinoline, 2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinoline, 2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Quinoline, 2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.