Pyridine, 4-(2-((2-methylpropyl)thio)ethyl)-, ethanedioate (1:1)
TL;DR: Pyridine, 4-(2-((2-methylpropyl)thio)ethyl)-, ethanedioate (1:1) (CAS 134480-51-6) is a chemical compound with molecular formula C13H19NO4S and molecular weight 285.1035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(2-methylpropylsulfanyl)ethyl]pyridine;oxalic acid
Also Known As: Pyridine, 4-(2-((2-methylpropyl)thio)ethyl)-, ethanedioate (1:1), 4-(2-((2-Methylpropyl)thio)ethyl)pyridine ethanedioate (1:1), 4-[2-(Isobutylthio)ethyl]pyridine oxalate, 4-[2-(2-methylpropylsulfanyl)ethyl]pyridine;oxalic acid, 4-[2-(2-methylpropylsulfanyl)ethyl]pyridine; oxalic acid
Technical Specifications
| Molecular Formula | C13H19NO4S |
| Molecular Weight | 285.1035 g/mol |
| XLogP | 2.1689 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.1035 Da |
| Heavy Atoms | 19 |
| Complexity | 191.0 |
| SMILES | CC(C)CSCCC1=CC=NC=C1.C(=O)(C(=O)O)O |
| InChIKey | QWRIKOFXWSEISY-UHFFFAOYSA-N |
Chemical Property Profile of Pyridine, 4-(2-((2-methylpropyl)thio)ethyl)-, ethanedioate (1:1)
Property Insights of Pyridine, 4-(2-((2-methylpropyl)thio)ethyl)-, ethanedioate (1:1)
The XLogP value of 2.1689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine, 4-(2-((2-methylpropyl)thio)ethyl)-, ethanedioate (1:1). The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridine, 4-(2-((2-methylpropyl)thio)ethyl)-, ethanedioate (1:1). Following Lipinski's Rule of Five, Pyridine, 4-(2-((2-methylpropyl)thio)ethyl)-, ethanedioate (1:1) has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pyridine, 4-(2-((2-methylpropyl)thio)ethyl)-, ethanedioate (1:1)?
The CAS number of Pyridine, 4-(2-((2-methylpropyl)thio)ethyl)-, ethanedioate (1:1) is 134480-51-6.
What is the molecular formula of Pyridine, 4-(2-((2-methylpropyl)thio)ethyl)-, ethanedioate (1:1)?
The molecular formula of Pyridine, 4-(2-((2-methylpropyl)thio)ethyl)-, ethanedioate (1:1) is C13H19NO4S.
What is the molecular weight of Pyridine, 4-(2-((2-methylpropyl)thio)ethyl)-, ethanedioate (1:1)?
The molecular weight of Pyridine, 4-(2-((2-methylpropyl)thio)ethyl)-, ethanedioate (1:1) is 285.1035 g/mol.
Where can I buy Pyridine, 4-(2-((2-methylpropyl)thio)ethyl)-, ethanedioate (1:1)?
You can request a quote for Pyridine, 4-(2-((2-methylpropyl)thio)ethyl)-, ethanedioate (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyridine, 4-(2-((2-methylpropyl)thio)ethyl)-, ethanedioate (1:1)?
Yes, CoreyChem provides custom synthesis services for Pyridine, 4-(2-((2-methylpropyl)thio)ethyl)-, ethanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.