2-(3-Cyano-6-(3-pyridyl)-2-pyridylthio)acetic acid
TL;DR: 2-(3-Cyano-6-(3-pyridyl)-2-pyridylthio)acetic acid (CAS 118947-63-0) is a chemical compound with molecular formula C13H9N3O2S and molecular weight 271.04153 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]acetic acid
Also Known As: 2-(3-cyano-6-(3-pyridyl)-2-pyridylthio)acetic acid, BAS 07415298, 2-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanylacetic acid, IDI1_024785, [(5-cyano-2,3'-bipyridin-6-yl)thio]acetic acid
Technical Specifications
| Molecular Formula | C13H9N3O2S |
| Molecular Weight | 271.04153 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.04153 Da |
| Heavy Atoms | 19 |
| Complexity | 368.0 |
| SMILES | C1=CC(=CN=C1)C2=NC(=C(C=C2)C#N)SCC(=O)O |
| InChIKey | JUNQVDMVIPCWQV-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-Cyano-6-(3-pyridyl)-2-pyridylthio)acetic acid
Property Insights of 2-(3-Cyano-6-(3-pyridyl)-2-pyridylthio)acetic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Cyano-6-(3-pyridyl)-2-pyridylthio)acetic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Cyano-6-(3-pyridyl)-2-pyridylthio)acetic acid. Following Lipinski's Rule of Five, 2-(3-Cyano-6-(3-pyridyl)-2-pyridylthio)acetic 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-Cyano-6-(3-pyridyl)-2-pyridylthio)acetic acid?
The CAS number of 2-(3-Cyano-6-(3-pyridyl)-2-pyridylthio)acetic acid is 118947-63-0.
What is the molecular formula of 2-(3-Cyano-6-(3-pyridyl)-2-pyridylthio)acetic acid?
The molecular formula of 2-(3-Cyano-6-(3-pyridyl)-2-pyridylthio)acetic acid is C13H9N3O2S.
What is the molecular weight of 2-(3-Cyano-6-(3-pyridyl)-2-pyridylthio)acetic acid?
The molecular weight of 2-(3-Cyano-6-(3-pyridyl)-2-pyridylthio)acetic acid is 271.04153 g/mol.
Where can I buy 2-(3-Cyano-6-(3-pyridyl)-2-pyridylthio)acetic acid?
You can request a quote for 2-(3-Cyano-6-(3-pyridyl)-2-pyridylthio)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Cyano-6-(3-pyridyl)-2-pyridylthio)acetic acid?
Yes, CoreyChem provides custom synthesis services for 2-(3-Cyano-6-(3-pyridyl)-2-pyridylthio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.