2-(3-nitropyridin-2-yl)sulfanylpropanoic Acid
TL;DR: 2-(3-nitropyridin-2-yl)sulfanylpropanoic Acid (CAS 100638-02-6) is a chemical compound with molecular formula C8H8N2O4S and molecular weight 228.02048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-nitro-2-pyridinyl)sulfanyl]propanoic acid
Also Known As: PROTHIOFOSOXON, 2-((3-Nitropyridin-2-yl)thio)propanoic acid, 2-(3-nitropyridin-2-yl)sulfanylpropanoic Acid, 2-[(3-Nitropyridin-2-yl)thio]propanoic acid, 2-[(3-nitro-2-pyridyl)thio]propanoic acid
Technical Specifications
| Molecular Formula | C8H8N2O4S |
| Molecular Weight | 228.02048 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.02048 Da |
| Heavy Atoms | 15 |
| Complexity | 256.0 |
| SMILES | CC(C(=O)O)SC1=C(C=CC=N1)[N+](=O)[O-] |
| InChIKey | MUDNTVKNHDLQJN-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-nitropyridin-2-yl)sulfanylpropanoic Acid
Property Insights of 2-(3-nitropyridin-2-yl)sulfanylpropanoic Acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-nitropyridin-2-yl)sulfanylpropanoic Acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-nitropyridin-2-yl)sulfanylpropanoic Acid. Following Lipinski's Rule of Five, 2-(3-nitropyridin-2-yl)sulfanylpropanoic Acid has 1 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 2-(3-nitropyridin-2-yl)sulfanylpropanoic Acid?
The CAS number of 2-(3-nitropyridin-2-yl)sulfanylpropanoic Acid is 100638-02-6.
What is the molecular formula of 2-(3-nitropyridin-2-yl)sulfanylpropanoic Acid?
The molecular formula of 2-(3-nitropyridin-2-yl)sulfanylpropanoic Acid is C8H8N2O4S.
What is the molecular weight of 2-(3-nitropyridin-2-yl)sulfanylpropanoic Acid?
The molecular weight of 2-(3-nitropyridin-2-yl)sulfanylpropanoic Acid is 228.02048 g/mol.
Where can I buy 2-(3-nitropyridin-2-yl)sulfanylpropanoic Acid?
You can request a quote for 2-(3-nitropyridin-2-yl)sulfanylpropanoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-nitropyridin-2-yl)sulfanylpropanoic Acid?
Yes, CoreyChem provides custom synthesis services for 2-(3-nitropyridin-2-yl)sulfanylpropanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.