6,6-Dimethyl-5-oxothiomorpholine-3-carboxylic acid
TL;DR: 6,6-Dimethyl-5-oxothiomorpholine-3-carboxylic acid (CAS 14226-94-9) is a chemical compound with molecular formula C7H11NO3S and molecular weight 189.04596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,6-dimethyl-5-oxothiomorpholine-3-carboxylic acid
Also Known As: 6,6-dimethyl-5-oxothiomorpholine-3-carboxylic acid, 6,6-dimethyl-5-oxo-3-thiomorpholinecarboxylic acid, 1,3-dimethyl-1H-pyrazol-4-amine, 6,6-dimethyl-5-oxo-thiomorpholine-3-carboxylic Acid, 6-methoxy-chroman-4-ylaminehydrochloride
Technical Specifications
| Molecular Formula | C7H11NO3S |
| Molecular Weight | 189.04596 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.04596 Da |
| Heavy Atoms | 12 |
| Complexity | 227.0 |
| SMILES | CC1(C(=O)NC(CS1)C(=O)O)C |
| InChIKey | GWMBJMYQZAVSRN-UHFFFAOYSA-N |
Chemical Property Profile of 6,6-Dimethyl-5-oxothiomorpholine-3-carboxylic acid
Property Insights of 6,6-Dimethyl-5-oxothiomorpholine-3-carboxylic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,6-Dimethyl-5-oxothiomorpholine-3-carboxylic acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,6-Dimethyl-5-oxothiomorpholine-3-carboxylic acid. Following Lipinski's Rule of Five, 6,6-Dimethyl-5-oxothiomorpholine-3-carboxylic acid has 2 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 6,6-Dimethyl-5-oxothiomorpholine-3-carboxylic acid?
The CAS number of 6,6-Dimethyl-5-oxothiomorpholine-3-carboxylic acid is 14226-94-9.
What is the molecular formula of 6,6-Dimethyl-5-oxothiomorpholine-3-carboxylic acid?
The molecular formula of 6,6-Dimethyl-5-oxothiomorpholine-3-carboxylic acid is C7H11NO3S.
What is the molecular weight of 6,6-Dimethyl-5-oxothiomorpholine-3-carboxylic acid?
The molecular weight of 6,6-Dimethyl-5-oxothiomorpholine-3-carboxylic acid is 189.04596 g/mol.
Where can I buy 6,6-Dimethyl-5-oxothiomorpholine-3-carboxylic acid?
You can request a quote for 6,6-Dimethyl-5-oxothiomorpholine-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6,6-Dimethyl-5-oxothiomorpholine-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 6,6-Dimethyl-5-oxothiomorpholine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.