Pyridinium, 1-(2-hydroxyethyl)-4-(phenylthio)-, bromide (1:1)
TL;DR: Pyridinium, 1-(2-hydroxyethyl)-4-(phenylthio)-, bromide (1:1) (CAS 71173-83-6) is a chemical compound with molecular formula C13H14BrNOS and molecular weight 310.99796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-phenylsulfanylpyridin-1-ium-1-yl)ethanol bromide
Also Known As: Pyridinium, 1-(2-hydroxyethyl)-4-(phenylthio)-, bromide, 1-(2-Hydroxyethyl)-4-(phenylthio)pyridinium, bromide, Pyridinium, 1-(2-hydroxyethyl)-4-(phenylthio)-, bromide (1:1), 2-(4-phenylsulfanylpyridin-1-ium-1-yl)ethanol bromide, 1-(2-HYDROXYETHYL)-4-(PHENYLSULFANYL)PYRIDIN-1-IUM BROMIDE
Technical Specifications
| Molecular Formula | C13H14BrNOS |
| Molecular Weight | 310.99796 g/mol |
| XLogP | -0.88 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.99796 Da |
| Heavy Atoms | 17 |
| Complexity | 186.0 |
| SMILES | C1=CC=C(C=C1)SC2=CC=[N+](C=C2)CCO.[Br-] |
| InChIKey | FWKVSOCWGVKOQG-UHFFFAOYSA-M |
Chemical Property Profile of Pyridinium, 1-(2-hydroxyethyl)-4-(phenylthio)-, bromide (1:1)
Property Insights of Pyridinium, 1-(2-hydroxyethyl)-4-(phenylthio)-, bromide (1:1)
The XLogP value of -0.88 indicates that Pyridinium, 1-(2-hydroxyethyl)-4-(phenylthio)-, bromide (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.4 Ų, Pyridinium, 1-(2-hydroxyethyl)-4-(phenylthio)-, bromide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 1-(2-hydroxyethyl)-4-(phenylthio)-, bromide (1:1) has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pyridinium, 1-(2-hydroxyethyl)-4-(phenylthio)-, bromide (1:1)?
The CAS number of Pyridinium, 1-(2-hydroxyethyl)-4-(phenylthio)-, bromide (1:1) is 71173-83-6.
What is the molecular formula of Pyridinium, 1-(2-hydroxyethyl)-4-(phenylthio)-, bromide (1:1)?
The molecular formula of Pyridinium, 1-(2-hydroxyethyl)-4-(phenylthio)-, bromide (1:1) is C13H14BrNOS.
What is the molecular weight of Pyridinium, 1-(2-hydroxyethyl)-4-(phenylthio)-, bromide (1:1)?
The molecular weight of Pyridinium, 1-(2-hydroxyethyl)-4-(phenylthio)-, bromide (1:1) is 310.99796 g/mol.
Where can I buy Pyridinium, 1-(2-hydroxyethyl)-4-(phenylthio)-, bromide (1:1)?
You can request a quote for Pyridinium, 1-(2-hydroxyethyl)-4-(phenylthio)-, bromide (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyridinium, 1-(2-hydroxyethyl)-4-(phenylthio)-, bromide (1:1)?
Yes, CoreyChem provides custom synthesis services for Pyridinium, 1-(2-hydroxyethyl)-4-(phenylthio)-, bromide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.