Methyl 6,6-dimethyl-5-oxo-3-thiomorpholinecarboxylate
TL;DR: Methyl 6,6-dimethyl-5-oxo-3-thiomorpholinecarboxylate (CAS 153893-73-3) is a chemical compound with molecular formula C8H13NO3S and molecular weight 203.06161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 6,6-dimethyl-5-oxothiomorpholine-3-carboxylate
Also Known As: methyl 6,6-dimethyl-5-oxo-3-thiomorpholinecarboxylate, methyl 6,6-dimethyl-5-oxothiomorpholine-3-carboxylate, 4R-0024, methyl6,6-dimethyl-5-oxothiomorpholine-3-carboxylate
Technical Specifications
| Molecular Formula | C8H13NO3S |
| Molecular Weight | 203.06161 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.06161 Da |
| Heavy Atoms | 13 |
| Complexity | 240.0 |
| SMILES | CC1(C(=O)NC(CS1)C(=O)OC)C |
| InChIKey | WDOAZFWCCYKHLM-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 6,6-dimethyl-5-oxo-3-thiomorpholinecarboxylate
Property Insights of Methyl 6,6-dimethyl-5-oxo-3-thiomorpholinecarboxylate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6,6-dimethyl-5-oxo-3-thiomorpholinecarboxylate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6,6-dimethyl-5-oxo-3-thiomorpholinecarboxylate. Following Lipinski's Rule of Five, Methyl 6,6-dimethyl-5-oxo-3-thiomorpholinecarboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 6,6-dimethyl-5-oxo-3-thiomorpholinecarboxylate?
The CAS number of Methyl 6,6-dimethyl-5-oxo-3-thiomorpholinecarboxylate is 153893-73-3.
What is the molecular formula of Methyl 6,6-dimethyl-5-oxo-3-thiomorpholinecarboxylate?
The molecular formula of Methyl 6,6-dimethyl-5-oxo-3-thiomorpholinecarboxylate is C8H13NO3S.
What is the molecular weight of Methyl 6,6-dimethyl-5-oxo-3-thiomorpholinecarboxylate?
The molecular weight of Methyl 6,6-dimethyl-5-oxo-3-thiomorpholinecarboxylate is 203.06161 g/mol.
Where can I buy Methyl 6,6-dimethyl-5-oxo-3-thiomorpholinecarboxylate?
You can request a quote for Methyl 6,6-dimethyl-5-oxo-3-thiomorpholinecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 6,6-dimethyl-5-oxo-3-thiomorpholinecarboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 6,6-dimethyl-5-oxo-3-thiomorpholinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.