Methyl pentyl sulfite
TL;DR: Methyl pentyl sulfite (CAS 6968-20-3) is a chemical compound with molecular formula C6H14O3S and molecular weight 166.06636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl pentyl sulfite
Also Known As: methyl pentyl sulfite, Pentyl methanesulfonate, 3-Pentylmethanesulfonate, Methanesulfonic acid, pentyl ester, NSC 20669
Technical Specifications
| Molecular Formula | C6H14O3S |
| Molecular Weight | 166.06636 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 54.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 166.06636 Da |
| Heavy Atoms | 10 |
| Complexity | 95.0 |
| SMILES | CCCCCOS(=O)OC |
| InChIKey | GSWMXIIUDJOXNF-UHFFFAOYSA-N |
Chemical Property Profile of Methyl pentyl sulfite
Property Insights of Methyl pentyl sulfite
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl pentyl sulfite. With a topological polar surface area (TPSA) of 54.7 Ų, Methyl pentyl sulfite exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl pentyl sulfite has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl pentyl sulfite?
The CAS number of Methyl pentyl sulfite is 6968-20-3.
What is the molecular formula of Methyl pentyl sulfite?
The molecular formula of Methyl pentyl sulfite is C6H14O3S.
What is the molecular weight of Methyl pentyl sulfite?
The molecular weight of Methyl pentyl sulfite is 166.06636 g/mol.
Where can I buy Methyl pentyl sulfite?
You can request a quote for Methyl pentyl sulfite directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl pentyl sulfite?
Yes, CoreyChem provides custom synthesis services for Methyl pentyl sulfite and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.