2-(Ethylthio)Nicotinoyl Chloride
TL;DR: 2-(Ethylthio)Nicotinoyl Chloride (CAS 123116-01-8) is a chemical compound with molecular formula C8H8ClNOS and molecular weight 201.00151 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylsulfanylpyridine-3-carbonyl chloride
Also Known As: 2-(Ethylthio)Nicotinoyl Chloride, 2-(Ethylthio)pyridine-3-carbonyl chloride, 2-ethylsulfanylpyridine-3-carbonyl chloride, 2-(Perfluorohexyl)ethyl acrylate, 2-Chlorobenzyl4-bromophenylketone
Technical Specifications
| Molecular Formula | C8H8ClNOS |
| Molecular Weight | 201.00151 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 55.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.00151 Da |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
| SMILES | CCSC1=C(C=CC=N1)C(=O)Cl |
| InChIKey | HVBVEALTDTVCAO-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Ethylthio)Nicotinoyl Chloride
Property Insights of 2-(Ethylthio)Nicotinoyl Chloride
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Ethylthio)Nicotinoyl Chloride. With a topological polar surface area (TPSA) of 55.3 Ų, 2-(Ethylthio)Nicotinoyl Chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Ethylthio)Nicotinoyl 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 2-(Ethylthio)Nicotinoyl Chloride?
The CAS number of 2-(Ethylthio)Nicotinoyl Chloride is 123116-01-8.
What is the molecular formula of 2-(Ethylthio)Nicotinoyl Chloride?
The molecular formula of 2-(Ethylthio)Nicotinoyl Chloride is C8H8ClNOS.
What is the molecular weight of 2-(Ethylthio)Nicotinoyl Chloride?
The molecular weight of 2-(Ethylthio)Nicotinoyl Chloride is 201.00151 g/mol.
Where can I buy 2-(Ethylthio)Nicotinoyl Chloride?
You can request a quote for 2-(Ethylthio)Nicotinoyl Chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Ethylthio)Nicotinoyl Chloride?
Yes, CoreyChem provides custom synthesis services for 2-(Ethylthio)Nicotinoyl Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.