(4-Pyridylthio)acetyl chloride
TL;DR: (4-Pyridylthio)acetyl chloride (CAS 52998-13-7) is a chemical compound with molecular formula C7H6ClNOS and molecular weight 186.98586 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-pyridin-4-ylsulfanylacetyl chloride
Also Known As: Not Available, (4-Pyridylthio)acetyl chloride, 4-pyridylthioacetyl chloride, 4-Pyridylmercaptoacetyl chloride, 2-pyridin-4-ylsulfanylacetyl chloride
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6ClNOS |
| Molecular Weight | 186.98586 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 55.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.98586 Da |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
| SMILES | C1=CN=CC=C1SCC(=O)Cl |
| InChIKey | IVRIXACFKSSWNB-UHFFFAOYSA-N |
Chemical Property Profile of (4-Pyridylthio)acetyl chloride
Property Insights of (4-Pyridylthio)acetyl chloride
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Pyridylthio)acetyl chloride. With a topological polar surface area (TPSA) of 55.3 Ų, (4-Pyridylthio)acetyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Pyridylthio)acetyl chloride has 0 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 (4-Pyridylthio)acetyl chloride?
The CAS number of (4-Pyridylthio)acetyl chloride is 52998-13-7.
What is the molecular formula of (4-Pyridylthio)acetyl chloride?
The molecular formula of (4-Pyridylthio)acetyl chloride is C7H6ClNOS.
What is the molecular weight of (4-Pyridylthio)acetyl chloride?
The molecular weight of (4-Pyridylthio)acetyl chloride is 186.98586 g/mol.
Where can I buy (4-Pyridylthio)acetyl chloride?
You can request a quote for (4-Pyridylthio)acetyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-Pyridylthio)acetyl chloride?
Yes, CoreyChem provides custom synthesis services for (4-Pyridylthio)acetyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.