Ethyl 2,2-dimethylpropane-1-sulfonate
TL;DR: Ethyl 2,2-dimethylpropane-1-sulfonate (CAS 15456-62-9) is a chemical compound with molecular formula C7H16O3S and molecular weight 180.08202 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2,2-dimethylpropane-1-sulfonate
Also Known As: ethyl 2,2-dimethylpropane-1-sulfonate, 2,2-dimethyl-propane-1-sulfonic acid ethyl ester, NSC 23364
Technical Specifications
| Molecular Formula | C7H16O3S |
| Molecular Weight | 180.08202 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.08202 Da |
| Heavy Atoms | 11 |
| Complexity | 193.0 |
| SMILES | CCOS(=O)(=O)CC(C)(C)C |
| InChIKey | QACOAEFYKTWQIE-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2,2-dimethylpropane-1-sulfonate
Property Insights of Ethyl 2,2-dimethylpropane-1-sulfonate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,2-dimethylpropane-1-sulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, Ethyl 2,2-dimethylpropane-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,2-dimethylpropane-1-sulfonate 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 Ethyl 2,2-dimethylpropane-1-sulfonate?
The CAS number of Ethyl 2,2-dimethylpropane-1-sulfonate is 15456-62-9.
What is the molecular formula of Ethyl 2,2-dimethylpropane-1-sulfonate?
The molecular formula of Ethyl 2,2-dimethylpropane-1-sulfonate is C7H16O3S.
What is the molecular weight of Ethyl 2,2-dimethylpropane-1-sulfonate?
The molecular weight of Ethyl 2,2-dimethylpropane-1-sulfonate is 180.08202 g/mol.
Where can I buy Ethyl 2,2-dimethylpropane-1-sulfonate?
You can request a quote for Ethyl 2,2-dimethylpropane-1-sulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2,2-dimethylpropane-1-sulfonate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2,2-dimethylpropane-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.