3-Methyl-1,4-oxathiane-2,6-dione
TL;DR: 3-Methyl-1,4-oxathiane-2,6-dione (CAS 89603-16-7) is a chemical compound with molecular formula C5H6O3S and molecular weight 146.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1,4-oxathiane-2,6-dione
Also Known As: 3-methyl-1,4-oxathiane-2,6-dione
| Molecular Formula | C5H6O3S |
|---|---|
| Molecular Weight | 146.00 g/mol |
| LogP | 0.1915 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 146.00377 |
| Heavy Atoms | 9 |
| Complexity | 154.2821 |
Chemical Identifiers
| CAS Number | 89603-16-7 |
|---|---|
| SMILES | CC1C(=O)OC(=O)CS1 |
Product Overview
3-Methyl-1,4-oxathiane-2,6-dione (CAS 89603-16-7), with molecular formula C5H6O3S and molecular weight 146.00 g/mol. IUPAC: 3-methyl-1,4-oxathiane-2,6-dione.
Chemical Property Profile of 3-Methyl-1,4-oxathiane-2,6-dione
Property Insights of 3-Methyl-1,4-oxathiane-2,6-dione
The XLogP value of 0.1915 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1,4-oxathiane-2,6-dione. With a topological polar surface area (TPSA) of 43.37 Ų, 3-Methyl-1,4-oxathiane-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1,4-oxathiane-2,6-dione 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
Frequently Asked Questions
What is the CAS number of 3-Methyl-1,4-oxathiane-2,6-dione?
The CAS number of 3-Methyl-1,4-oxathiane-2,6-dione is 89603-16-7.
What is the molecular formula of 3-Methyl-1,4-oxathiane-2,6-dione?
The molecular formula of 3-Methyl-1,4-oxathiane-2,6-dione is C5H6O3S.
What is the molecular weight of 3-Methyl-1,4-oxathiane-2,6-dione?
The molecular weight of 3-Methyl-1,4-oxathiane-2,6-dione is 146.00 g/mol.
Where can I buy 3-Methyl-1,4-oxathiane-2,6-dione?
You can request a quote for 3-Methyl-1,4-oxathiane-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1,4-oxathiane-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1,4-oxathiane-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.