![2-[(2-Butenyl)thio]-N,2-dimethylpropionamide structure](/static/products/6391/63915-94-6.webp)
2-[(2-Butenyl)thio]-N,2-dimethylpropionamide
TL;DR: 2-[(2-Butenyl)thio]-N,2-dimethylpropionamide (CAS 63915-94-6) is a chemical compound with molecular formula C9H17NOS and molecular weight 187.10309 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-but-2-enylsulfanyl-N,2-dimethylpropanamide
Also Known As: 2-but-2-enylsulfanyl-N,2-dimethylpropanamide, 2-[(2-Butenyl)thio]-N,2-dimethylpropionamide, 2-[(E)-but-2-enyl]sulfanyl-N,2-dimethylpropanamide
Technical Specifications
| Molecular Formula | C9H17NOS |
| Molecular Weight | 187.10309 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 187.10309 Da |
| Heavy Atoms | 12 |
| Complexity | 175.0 |
| SMILES | CC=CCSC(C)(C)C(=O)NC |
| InChIKey | IDYGRQQUWYMRTA-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(2-Butenyl)thio]-N,2-dimethylpropionamide
Property Insights of 2-[(2-Butenyl)thio]-N,2-dimethylpropionamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Butenyl)thio]-N,2-dimethylpropionamide. With a topological polar surface area (TPSA) of 54.4 Ų, 2-[(2-Butenyl)thio]-N,2-dimethylpropionamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-Butenyl)thio]-N,2-dimethylpropionamide 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-Butenyl)thio]-N,2-dimethylpropionamide?
The CAS number of 2-[(2-Butenyl)thio]-N,2-dimethylpropionamide is 63915-94-6.
What is the molecular formula of 2-[(2-Butenyl)thio]-N,2-dimethylpropionamide?
The molecular formula of 2-[(2-Butenyl)thio]-N,2-dimethylpropionamide is C9H17NOS.
What is the molecular weight of 2-[(2-Butenyl)thio]-N,2-dimethylpropionamide?
The molecular weight of 2-[(2-Butenyl)thio]-N,2-dimethylpropionamide is 187.10309 g/mol.
Where can I buy 2-[(2-Butenyl)thio]-N,2-dimethylpropionamide?
You can request a quote for 2-[(2-Butenyl)thio]-N,2-dimethylpropionamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(2-Butenyl)thio]-N,2-dimethylpropionamide?
Yes, CoreyChem provides custom synthesis services for 2-[(2-Butenyl)thio]-N,2-dimethylpropionamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.