Nicotinamide, 4-(2-chloroethylthio)-
TL;DR: Nicotinamide, 4-(2-chloroethylthio)- (CAS 13096-17-8) is a chemical compound with molecular formula C8H9ClN2OS and molecular weight 216.0124 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-chloroethylsulfanyl)pyridine-3-carboxamide
Also Known As: 4-(2-Chloroethylthio)nicotinamide, Nicotinamide, 4-(2-chloroethylthio)-, 4-((2-chloroethyl)thio)nicotinamide, 4-(2-chloroethylsulfanyl)pyridine-3-carboxamide, 5-22-05-00112 (Beilstein Handbook Reference)
Technical Specifications
| Molecular Formula | C8H9ClN2OS |
| Molecular Weight | 216.0124 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 81.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.0124 Da |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
| SMILES | C1=CN=CC(=C1SCCCl)C(=O)N |
| InChIKey | XFGRHZNYHVXJJG-UHFFFAOYSA-N |
Chemical Property Profile of Nicotinamide, 4-(2-chloroethylthio)-
Property Insights of Nicotinamide, 4-(2-chloroethylthio)-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nicotinamide, 4-(2-chloroethylthio)-. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Nicotinamide, 4-(2-chloroethylthio)-. Following Lipinski's Rule of Five, Nicotinamide, 4-(2-chloroethylthio)- has 1 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 Nicotinamide, 4-(2-chloroethylthio)-?
The CAS number of Nicotinamide, 4-(2-chloroethylthio)- is 13096-17-8.
What is the molecular formula of Nicotinamide, 4-(2-chloroethylthio)-?
The molecular formula of Nicotinamide, 4-(2-chloroethylthio)- is C8H9ClN2OS.
What is the molecular weight of Nicotinamide, 4-(2-chloroethylthio)-?
The molecular weight of Nicotinamide, 4-(2-chloroethylthio)- is 216.0124 g/mol.
Where can I buy Nicotinamide, 4-(2-chloroethylthio)-?
You can request a quote for Nicotinamide, 4-(2-chloroethylthio)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nicotinamide, 4-(2-chloroethylthio)-?
Yes, CoreyChem provides custom synthesis services for Nicotinamide, 4-(2-chloroethylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.