![2-[(2-Oxo-2-phenylethyl)thio]nicotinic acid structure](/static/products/1422/142221-23-6.webp)
2-[(2-Oxo-2-phenylethyl)thio]nicotinic acid
TL;DR: 2-[(2-Oxo-2-phenylethyl)thio]nicotinic acid (CAS 142221-23-6) is a chemical compound with molecular formula C14H11NO3S and molecular weight 273.04596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenacylsulfanylpyridine-3-carboxylic acid
Also Known As: 2-[(2-OXO-2-PHENYLETHYL)THIO]NICOTINIC ACID, 2-((2-oxo-2-phenylethyl)thio)nicotinic acid, 2-phenacylsulfanylpyridine-3-carboxylic acid, 2-[ THIO]NICOTINICACID, BAS 00533657
Technical Specifications
| Molecular Formula | C14H11NO3S |
| Molecular Weight | 273.04596 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 92.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.04596 Da |
| Heavy Atoms | 19 |
| Complexity | 329.0 |
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=C(C=CC=N2)C(=O)O |
| InChIKey | MJHMABNIGSEYKN-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(2-Oxo-2-phenylethyl)thio]nicotinic acid
Property Insights of 2-[(2-Oxo-2-phenylethyl)thio]nicotinic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Oxo-2-phenylethyl)thio]nicotinic acid. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Oxo-2-phenylethyl)thio]nicotinic acid. Following Lipinski's Rule of Five, 2-[(2-Oxo-2-phenylethyl)thio]nicotinic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[(2-Oxo-2-phenylethyl)thio]nicotinic acid?
The CAS number of 2-[(2-Oxo-2-phenylethyl)thio]nicotinic acid is 142221-23-6.
What is the molecular formula of 2-[(2-Oxo-2-phenylethyl)thio]nicotinic acid?
The molecular formula of 2-[(2-Oxo-2-phenylethyl)thio]nicotinic acid is C14H11NO3S.
What is the molecular weight of 2-[(2-Oxo-2-phenylethyl)thio]nicotinic acid?
The molecular weight of 2-[(2-Oxo-2-phenylethyl)thio]nicotinic acid is 273.04596 g/mol.
Where can I buy 2-[(2-Oxo-2-phenylethyl)thio]nicotinic acid?
You can request a quote for 2-[(2-Oxo-2-phenylethyl)thio]nicotinic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(2-Oxo-2-phenylethyl)thio]nicotinic acid?
Yes, CoreyChem provides custom synthesis services for 2-[(2-Oxo-2-phenylethyl)thio]nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.