4-Ethyl-4-methylthiolan-2-one
TL;DR: 4-Ethyl-4-methylthiolan-2-one (CAS 103620-94-6) is a chemical compound with molecular formula CCC1(CC(=O)SC1)C and molecular weight 144.06088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-ethyl-4-methylthiolan-2-one
Also Known As: beta-Emtbl, 4-ethyl-4-methylthiolan-2-one, beta-Ethyl-beta-methyl-thiobutyrolactone, beta-ethyl, beta-methyl-thiobutyrolactone, 6-chloro-2,3-dihydroxychromen-4-one
Technical Specifications
| Molecular Formula | CCC1(CC(=O)SC1)C |
| Molecular Weight | 144.06088 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.06088 Da |
| Heavy Atoms | 9 |
| Complexity | 133.0 |
| SMILES | CCC1(CC(=O)SC1)C |
| InChIKey | DBJZKORTGULUOX-UHFFFAOYSA-N |
Chemical Property Profile of 4-Ethyl-4-methylthiolan-2-one
Property Insights of 4-Ethyl-4-methylthiolan-2-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-4-methylthiolan-2-one. With a topological polar surface area (TPSA) of 42.4 Ų, 4-Ethyl-4-methylthiolan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-4-methylthiolan-2-one has 0 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 4-Ethyl-4-methylthiolan-2-one?
The CAS number of 4-Ethyl-4-methylthiolan-2-one is 103620-94-6.
What is the molecular formula of 4-Ethyl-4-methylthiolan-2-one?
The molecular formula of 4-Ethyl-4-methylthiolan-2-one is CCC1(CC(=O)SC1)C.
What is the molecular weight of 4-Ethyl-4-methylthiolan-2-one?
The molecular weight of 4-Ethyl-4-methylthiolan-2-one is 144.06088 g/mol.
Where can I buy 4-Ethyl-4-methylthiolan-2-one?
You can request a quote for 4-Ethyl-4-methylthiolan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Ethyl-4-methylthiolan-2-one?
Yes, CoreyChem provides custom synthesis services for 4-Ethyl-4-methylthiolan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.