2-Methyl-5-(dimethylamino)methyl-1,3-oxathiolane-3-oxide
TL;DR: 2-Methyl-5-(dimethylamino)methyl-1,3-oxathiolane-3-oxide (CAS 109280-12-8) is a chemical compound with molecular formula C8H18INO2S and molecular weight 319.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[[(2S,5S)-2-methyl-3-oxo-1,3-oxathiolan-5-yl]methyl]azanium iodide
Also Known As: MDMOO, 2-Methyl-5-(dimethylamino)methyl-1,3-oxathiolane-3-oxide, trimethyl-[[(2S,5S)-2-methyl-3-oxo-1,3-oxathiolan-5-yl]methyl]azanium iodide, N,N,N-Trimethyl(2-methyl-3-oxo-1,3lambda~4~-oxathiolan-5-yl)methanaminium iodide, N,N,N-Trimethyl[(2S,5S)-2-methyl-3-oxo-1,3lambda~4~-oxathiolan-5-yl]methanaminium iodide
| Molecular Formula | C8H18INO2S |
|---|---|
| Molecular Weight | 319.01 g/mol |
| LogP | -2.8099 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.0103 |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 109280-12-8 |
|---|---|
| SMILES | C[C@H]1O[C@H](CS1=O)C[N+](C)(C)C.[I-] |
| InChIKey | LJJHWUCPDQRFRI-JUQHTPJSSA-M |
Product Overview
2-Methyl-5-(dimethylamino)methyl-1,3-oxathiolane-3-oxide (CAS 109280-12-8), with molecular formula C8H18INO2S and molecular weight 319.01 g/mol. IUPAC: trimethyl-[[(2S,5S)-2-methyl-3-oxo-1,3-oxathiolan-5-yl]methyl]azanium iodide.
Chemical Property Profile of 2-Methyl-5-(dimethylamino)methyl-1,3-oxathiolane-3-oxide
Property Insights of 2-Methyl-5-(dimethylamino)methyl-1,3-oxathiolane-3-oxide
The XLogP value of -2.8099 indicates that 2-Methyl-5-(dimethylamino)methyl-1,3-oxathiolane-3-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 45.5 Ų, 2-Methyl-5-(dimethylamino)methyl-1,3-oxathiolane-3-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-5-(dimethylamino)methyl-1,3-oxathiolane-3-oxide 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 2-Methyl-5-(dimethylamino)methyl-1,3-oxathiolane-3-oxide?
The CAS number of 2-Methyl-5-(dimethylamino)methyl-1,3-oxathiolane-3-oxide is 109280-12-8.
What is the molecular formula of 2-Methyl-5-(dimethylamino)methyl-1,3-oxathiolane-3-oxide?
The molecular formula of 2-Methyl-5-(dimethylamino)methyl-1,3-oxathiolane-3-oxide is C8H18INO2S.
What is the molecular weight of 2-Methyl-5-(dimethylamino)methyl-1,3-oxathiolane-3-oxide?
The molecular weight of 2-Methyl-5-(dimethylamino)methyl-1,3-oxathiolane-3-oxide is 319.01 g/mol.
Where can I buy 2-Methyl-5-(dimethylamino)methyl-1,3-oxathiolane-3-oxide?
You can request a quote for 2-Methyl-5-(dimethylamino)methyl-1,3-oxathiolane-3-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-(dimethylamino)methyl-1,3-oxathiolane-3-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-(dimethylamino)methyl-1,3-oxathiolane-3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.