2-tert-Butyl-2-methyl-1,3-oxathiane
TL;DR: 2-tert-Butyl-2-methyl-1,3-oxathiane (CAS 24699-60-3) is a chemical compound with molecular formula C9H18OS and molecular weight 174.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-2-methyl-1,3-oxathiane
Also Known As: 2-tert-Butyl-2-methyl-1,3-oxathiane, 1,3-Oxathiane, 2-tert-butyl-2-methyl-, 2-(tert-butyl)-2-methyl-1,3-oxathiane, 2-tert-Butyl-2-methyl-1,3-oxathiane #, 1,3-Oxathiane, 2-(1,1-dimethylethyl)-2-methyl-
| Molecular Formula | C9H18OS |
|---|---|
| Molecular Weight | 174.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.10783 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 24699-60-3 |
|---|---|
| SMILES | CC1(OCCCS1)C(C)(C)C |
| InChIKey | AQKKGTFEPVRFPY-UHFFFAOYSA-N |
Product Overview
2-tert-Butyl-2-methyl-1,3-oxathiane (CAS 24699-60-3), with molecular formula C9H18OS and molecular weight 174.11 g/mol. IUPAC: 2-tert-butyl-2-methyl-1,3-oxathiane.
Chemical Property Profile of 2-tert-Butyl-2-methyl-1,3-oxathiane
Property Insights of 2-tert-Butyl-2-methyl-1,3-oxathiane
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-tert-Butyl-2-methyl-1,3-oxathiane. With a topological polar surface area (TPSA) of 34.5 Ų, 2-tert-Butyl-2-methyl-1,3-oxathiane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-Butyl-2-methyl-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
Frequently Asked Questions
What is the CAS number of 2-tert-Butyl-2-methyl-1,3-oxathiane?
The CAS number of 2-tert-Butyl-2-methyl-1,3-oxathiane is 24699-60-3.
What is the molecular formula of 2-tert-Butyl-2-methyl-1,3-oxathiane?
The molecular formula of 2-tert-Butyl-2-methyl-1,3-oxathiane is C9H18OS.
What is the molecular weight of 2-tert-Butyl-2-methyl-1,3-oxathiane?
The molecular weight of 2-tert-Butyl-2-methyl-1,3-oxathiane is 174.11 g/mol.
Where can I buy 2-tert-Butyl-2-methyl-1,3-oxathiane?
You can request a quote for 2-tert-Butyl-2-methyl-1,3-oxathiane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-Butyl-2-methyl-1,3-oxathiane?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-Butyl-2-methyl-1,3-oxathiane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.