3-Methylsulfolane
TL;DR: 3-Methylsulfolane (CAS 872-93-5) is a chemical compound with molecular formula C5H10O2S and molecular weight 134.04015 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylthiolane 1,1-dioxide
Also Known As: 3-Methylsulfolane, 3-Methyl sulfolane, 3-Methyltetrahydrothiophene 1,1-dioxide, 3-methylthiolane 1,1-dioxide, Thiophene, 1,1-dioxide
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H10O2S |
| Molecular Weight | 134.04015 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 134.04015 Da |
| Heavy Atoms | 8 |
| Complexity | 163.0 |
| SMILES | CC1CCS(=O)(=O)C1 |
| InChIKey | CMJLMPKFQPJDKP-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methylsulfolane
Property Insights of 3-Methylsulfolane
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylsulfolane. With a topological polar surface area (TPSA) of 42.5 Ų, 3-Methylsulfolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylsulfolane 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 3-Methylsulfolane?
The CAS number of 3-Methylsulfolane is 872-93-5.
What is the molecular formula of 3-Methylsulfolane?
The molecular formula of 3-Methylsulfolane is C5H10O2S.
What is the molecular weight of 3-Methylsulfolane?
The molecular weight of 3-Methylsulfolane is 134.04015 g/mol.
Where can I buy 3-Methylsulfolane?
You can request a quote for 3-Methylsulfolane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methylsulfolane?
Yes, CoreyChem provides custom synthesis services for 3-Methylsulfolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.