Nicotinic acid, 4-(2-chloroethylthio)-
TL;DR: Nicotinic acid, 4-(2-chloroethylthio)- (CAS 13096-15-6) is a chemical compound with molecular formula C8H8ClNO2S and molecular weight 216.99643 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-chloroethylsulfanyl)pyridine-3-carboxylic acid
Also Known As: 4-(2-Chloroethylthio)nicotinic acid, Nicotinic acid, 4-(2-chloroethylthio)-, 4-(2-Chloroethylthio)-3-pyridinecarboxylic acid, 3-Pyridinecarboxylic acid, 4-(2-chloroethylthio)-, 4-((2-chloroethyl)thio)nicotinic acid
Technical Specifications
| Molecular Formula | C8H8ClNO2S |
| Molecular Weight | 216.99643 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 75.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.99643 Da |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
| SMILES | C1=CN=CC(=C1SCCCl)C(=O)O |
| InChIKey | IHESCFOJBNPJMK-UHFFFAOYSA-N |
Chemical Property Profile of Nicotinic acid, 4-(2-chloroethylthio)-
Property Insights of Nicotinic acid, 4-(2-chloroethylthio)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinic acid, 4-(2-chloroethylthio)-. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Nicotinic acid, 4-(2-chloroethylthio)-. Following Lipinski's Rule of Five, Nicotinic acid, 4-(2-chloroethylthio)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Nicotinic acid, 4-(2-chloroethylthio)-?
The CAS number of Nicotinic acid, 4-(2-chloroethylthio)- is 13096-15-6.
What is the molecular formula of Nicotinic acid, 4-(2-chloroethylthio)-?
The molecular formula of Nicotinic acid, 4-(2-chloroethylthio)- is C8H8ClNO2S.
What is the molecular weight of Nicotinic acid, 4-(2-chloroethylthio)-?
The molecular weight of Nicotinic acid, 4-(2-chloroethylthio)- is 216.99643 g/mol.
Where can I buy Nicotinic acid, 4-(2-chloroethylthio)-?
You can request a quote for Nicotinic acid, 4-(2-chloroethylthio)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nicotinic acid, 4-(2-chloroethylthio)-?
Yes, CoreyChem provides custom synthesis services for Nicotinic acid, 4-(2-chloroethylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.