Pyridine, 3-(1-aziridinylcarbonyl)-4-(2-chloroethylthio)-
TL;DR: Pyridine, 3-(1-aziridinylcarbonyl)-4-(2-chloroethylthio)- (CAS 13096-21-4) is a chemical compound with molecular formula C10H11ClN2OS and molecular weight 242.02806 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
aziridin-1-yl-[4-(2-chloroethylsulfanyl)-3-pyridinyl]methanone
Also Known As: N-4-(2-Chloroethylthio)nicotinoylethylenimine, Pyridine, 3-(1-aziridinylcarbonyl)-4-(2-chloroethylthio)-, 3-(1-Aziridinylcarbonyl)-4-(2-chloroethylthio)pyridine, aziridin-1-yl-[4-(2-chloroethylsulfanyl)pyridin-3-yl]methanone, 5-22-05-00112 (Beilstein Handbook Reference)
Technical Specifications
| Molecular Formula | C10H11ClN2OS |
| Molecular Weight | 242.02806 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 58.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.02806 Da |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
| SMILES | C1CN1C(=O)C2=C(C=CN=C2)SCCCl |
| InChIKey | VPHMDSGUBQGOEI-UHFFFAOYSA-N |
Chemical Property Profile of Pyridine, 3-(1-aziridinylcarbonyl)-4-(2-chloroethylthio)-
Property Insights of Pyridine, 3-(1-aziridinylcarbonyl)-4-(2-chloroethylthio)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine, 3-(1-aziridinylcarbonyl)-4-(2-chloroethylthio)-. With a topological polar surface area (TPSA) of 58.3 Ų, Pyridine, 3-(1-aziridinylcarbonyl)-4-(2-chloroethylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridine, 3-(1-aziridinylcarbonyl)-4-(2-chloroethylthio)- 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 Pyridine, 3-(1-aziridinylcarbonyl)-4-(2-chloroethylthio)-?
The CAS number of Pyridine, 3-(1-aziridinylcarbonyl)-4-(2-chloroethylthio)- is 13096-21-4.
What is the molecular formula of Pyridine, 3-(1-aziridinylcarbonyl)-4-(2-chloroethylthio)-?
The molecular formula of Pyridine, 3-(1-aziridinylcarbonyl)-4-(2-chloroethylthio)- is C10H11ClN2OS.
What is the molecular weight of Pyridine, 3-(1-aziridinylcarbonyl)-4-(2-chloroethylthio)-?
The molecular weight of Pyridine, 3-(1-aziridinylcarbonyl)-4-(2-chloroethylthio)- is 242.02806 g/mol.
Where can I buy Pyridine, 3-(1-aziridinylcarbonyl)-4-(2-chloroethylthio)-?
You can request a quote for Pyridine, 3-(1-aziridinylcarbonyl)-4-(2-chloroethylthio)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyridine, 3-(1-aziridinylcarbonyl)-4-(2-chloroethylthio)-?
Yes, CoreyChem provides custom synthesis services for Pyridine, 3-(1-aziridinylcarbonyl)-4-(2-chloroethylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.