2-Methyl-5-t-butyl-1,3-oxathiane
TL;DR: 2-Methyl-5-t-butyl-1,3-oxathiane (CAS 143488-90-8) is a chemical compound with molecular formula C9H18OS and molecular weight 174.10783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-tert-butyl-2-methyl-1,3-oxathiane
Also Known As: 2-Methyl-5-t-butyl-1,3-oxathiane, 5-tert-Butyl-2-methyl-1,3-oxathiane, 5-tert-Butyl-2-methyl-1,3-oxathiane #, 1,3-Oxathiane, 5-(1,1-dimethylethyl)-2-methyl-, trans-
Technical Specifications
| Molecular Formula | C9H18OS |
| Molecular Weight | 174.10783 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.10783 Da |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
| SMILES | CC1OCC(CS1)C(C)(C)C |
| InChIKey | XTLNXEVVZVWOQG-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methyl-5-t-butyl-1,3-oxathiane
Property Insights of 2-Methyl-5-t-butyl-1,3-oxathiane
The XLogP value of 3.0 indicates that 2-Methyl-5-t-butyl-1,3-oxathiane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.5 Ų, 2-Methyl-5-t-butyl-1,3-oxathiane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-5-t-butyl-1,3-oxathiane 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 2-Methyl-5-t-butyl-1,3-oxathiane?
The CAS number of 2-Methyl-5-t-butyl-1,3-oxathiane is 143488-90-8.
What is the molecular formula of 2-Methyl-5-t-butyl-1,3-oxathiane?
The molecular formula of 2-Methyl-5-t-butyl-1,3-oxathiane is C9H18OS.
What is the molecular weight of 2-Methyl-5-t-butyl-1,3-oxathiane?
The molecular weight of 2-Methyl-5-t-butyl-1,3-oxathiane is 174.10783 g/mol.
Where can I buy 2-Methyl-5-t-butyl-1,3-oxathiane?
You can request a quote for 2-Methyl-5-t-butyl-1,3-oxathiane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-5-t-butyl-1,3-oxathiane?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-5-t-butyl-1,3-oxathiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.