1,3-Oxathiolan-4-one, 5,5-dimethyl-, O-((methylamino)carbonyl)oxime, syn-
TL;DR: 1,3-Oxathiolan-4-one, 5,5-dimethyl-, O-((methylamino)carbonyl)oxime, syn- (CAS 106231-36-1) is a chemical compound with molecular formula C7H12N2O3S and molecular weight 204.05687 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-(5,5-dimethyl-1,3-oxathiolan-4-ylidene)amino] N-methylcarbamate
Also Known As: syn-5,5-Dimethyl-1,3-oxathiolan-4-one O-((methylamino)carbonyl)oxime, 1,3-Oxathiolan-4-one, 5,5-dimethyl-, O-((methylamino)carbonyl)oxime, syn-, [(E)-(5,5-dimethyl-1,3-oxathiolan-4-ylidene)amino] N-methylcarbamate, {[(E)-(5,5-Dimethyl-1,3-oxathiolan-4-ylidene)amino]oxy}(methylamino)methanone
Technical Specifications
| Molecular Formula | C7H12N2O3S |
| Molecular Weight | 204.05687 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 85.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.05687 Da |
| Heavy Atoms | 13 |
| Complexity | 240.0 |
| SMILES | CC1(/C(=N\OC(=O)NC)/SCO1)C |
| InChIKey | JSHNTSCXNBASQJ-WEVVVXLNSA-N |
Chemical Property Profile of 1,3-Oxathiolan-4-one, 5,5-dimethyl-, O-((methylamino)carbonyl)oxime, syn-
Property Insights of 1,3-Oxathiolan-4-one, 5,5-dimethyl-, O-((methylamino)carbonyl)oxime, syn-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Oxathiolan-4-one, 5,5-dimethyl-, O-((methylamino)carbonyl)oxime, syn-. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Oxathiolan-4-one, 5,5-dimethyl-, O-((methylamino)carbonyl)oxime, syn-. Following Lipinski's Rule of Five, 1,3-Oxathiolan-4-one, 5,5-dimethyl-, O-((methylamino)carbonyl)oxime, syn- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Oxathiolan-4-one, 5,5-dimethyl-, O-((methylamino)carbonyl)oxime, syn-?
The CAS number of 1,3-Oxathiolan-4-one, 5,5-dimethyl-, O-((methylamino)carbonyl)oxime, syn- is 106231-36-1.
What is the molecular formula of 1,3-Oxathiolan-4-one, 5,5-dimethyl-, O-((methylamino)carbonyl)oxime, syn-?
The molecular formula of 1,3-Oxathiolan-4-one, 5,5-dimethyl-, O-((methylamino)carbonyl)oxime, syn- is C7H12N2O3S.
What is the molecular weight of 1,3-Oxathiolan-4-one, 5,5-dimethyl-, O-((methylamino)carbonyl)oxime, syn-?
The molecular weight of 1,3-Oxathiolan-4-one, 5,5-dimethyl-, O-((methylamino)carbonyl)oxime, syn- is 204.05687 g/mol.
Where can I buy 1,3-Oxathiolan-4-one, 5,5-dimethyl-, O-((methylamino)carbonyl)oxime, syn-?
You can request a quote for 1,3-Oxathiolan-4-one, 5,5-dimethyl-, O-((methylamino)carbonyl)oxime, syn- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Oxathiolan-4-one, 5,5-dimethyl-, O-((methylamino)carbonyl)oxime, syn-?
Yes, CoreyChem provides custom synthesis services for 1,3-Oxathiolan-4-one, 5,5-dimethyl-, O-((methylamino)carbonyl)oxime, syn- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.