![2-[(2-Chloroethyl)thio]-n-methylpropionamide structure](/static/products/3658/36585-14-5.webp)
2-[(2-Chloroethyl)thio]-n-methylpropionamide
TL;DR: 2-[(2-Chloroethyl)thio]-n-methylpropionamide (CAS 36585-14-5) is a chemical compound with molecular formula C6H12ClNOS and molecular weight 181.0328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-chloroethylsulfanyl)-N-methylpropanamide
Also Known As: 2-[ thio]-N-methylpropionamide, 2-(2-chloroethylsulfanyl)-N-methylpropanamide, 2-[(2-chloroethyl)thio]-n-methylpropionamide, 2-((2-Chloroethyl)thio)-N-methylpropionamide, 2-(2-Chloroethylthio)-N-methylpropionamide
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H12ClNOS |
| Molecular Weight | 181.0328 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 181.0328 Da |
| Heavy Atoms | 10 |
| Complexity | 110.0 |
| SMILES | CC(C(=O)NC)SCCCl |
| InChIKey | KIMYRORYRNZWDJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(2-Chloroethyl)thio]-n-methylpropionamide
Property Insights of 2-[(2-Chloroethyl)thio]-n-methylpropionamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Chloroethyl)thio]-n-methylpropionamide. With a topological polar surface area (TPSA) of 54.4 Ų, 2-[(2-Chloroethyl)thio]-n-methylpropionamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-Chloroethyl)thio]-n-methylpropionamide has 1 hydrogen bond donor(s) and 2 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-[(2-Chloroethyl)thio]-n-methylpropionamide?
The CAS number of 2-[(2-Chloroethyl)thio]-n-methylpropionamide is 36585-14-5.
What is the molecular formula of 2-[(2-Chloroethyl)thio]-n-methylpropionamide?
The molecular formula of 2-[(2-Chloroethyl)thio]-n-methylpropionamide is C6H12ClNOS.
What is the molecular weight of 2-[(2-Chloroethyl)thio]-n-methylpropionamide?
The molecular weight of 2-[(2-Chloroethyl)thio]-n-methylpropionamide is 181.0328 g/mol.
Where can I buy 2-[(2-Chloroethyl)thio]-n-methylpropionamide?
You can request a quote for 2-[(2-Chloroethyl)thio]-n-methylpropionamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(2-Chloroethyl)thio]-n-methylpropionamide?
Yes, CoreyChem provides custom synthesis services for 2-[(2-Chloroethyl)thio]-n-methylpropionamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.