1,3-Oxathiane, 2,2-dimethyl-
TL;DR: 1,3-Oxathiane, 2,2-dimethyl- (CAS 5809-68-7) is a chemical compound with molecular formula C6H12OS and molecular weight 132.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-1,3-oxathiane
Also Known As: 2,2-Dimethyl-1,3-oxathiane, 1,3-Oxathiane, 2,2-dimethyl-
| Molecular Formula | C6H12OS |
|---|---|
| Molecular Weight | 132.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 34.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 132.06088 |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 5809-68-7 |
|---|---|
| SMILES | CC1(OCCCS1)C |
| InChIKey | KJDYXCAEYJFVJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Oxathiane, 2,2-dimethyl- (CAS 5809-68-7), with molecular formula C6H12OS and molecular weight 132.06 g/mol. IUPAC: 2,2-dimethyl-1,3-oxathiane.
Chemical Property Profile of 1,3-Oxathiane, 2,2-dimethyl-
Property Insights of 1,3-Oxathiane, 2,2-dimethyl-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Oxathiane, 2,2-dimethyl-. With a topological polar surface area (TPSA) of 34.5 Ų, 1,3-Oxathiane, 2,2-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Oxathiane, 2,2-dimethyl- 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 1,3-Oxathiane, 2,2-dimethyl-?
The CAS number of 1,3-Oxathiane, 2,2-dimethyl- is 5809-68-7.
What is the molecular formula of 1,3-Oxathiane, 2,2-dimethyl-?
The molecular formula of 1,3-Oxathiane, 2,2-dimethyl- is C6H12OS.
What is the molecular weight of 1,3-Oxathiane, 2,2-dimethyl-?
The molecular weight of 1,3-Oxathiane, 2,2-dimethyl- is 132.06 g/mol.
Where can I buy 1,3-Oxathiane, 2,2-dimethyl-?
You can request a quote for 1,3-Oxathiane, 2,2-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Oxathiane, 2,2-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Oxathiane, 2,2-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.