S-Methyl-N,N-diethylthiocarbamate Sulfone
TL;DR: S-Methyl-N,N-diethylthiocarbamate Sulfone (CAS 155514-79-7) is a chemical compound with molecular formula C6H13NO3S and molecular weight 179.06161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-diethyl-1-methylsulfonylformamide
Also Known As: S-Methyl-N,N-diethylthiocarbamate Sulfone, MEDTC, DETC-sulfone, starbld0006179, N,N-diethyl-1-methylsulfonylformamide
Technical Specifications
| Molecular Formula | C6H13NO3S |
| Molecular Weight | 179.06161 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.06161 Da |
| Heavy Atoms | 11 |
| Complexity | 223.0 |
| SMILES | CCN(CC)C(=O)S(=O)(=O)C |
| InChIKey | XRFGLFAEBISDIV-UHFFFAOYSA-N |
Chemical Property Profile of S-Methyl-N,N-diethylthiocarbamate Sulfone
Property Insights of S-Methyl-N,N-diethylthiocarbamate Sulfone
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Methyl-N,N-diethylthiocarbamate Sulfone. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Methyl-N,N-diethylthiocarbamate Sulfone. Following Lipinski's Rule of Five, S-Methyl-N,N-diethylthiocarbamate Sulfone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of S-Methyl-N,N-diethylthiocarbamate Sulfone?
The CAS number of S-Methyl-N,N-diethylthiocarbamate Sulfone is 155514-79-7.
What is the molecular formula of S-Methyl-N,N-diethylthiocarbamate Sulfone?
The molecular formula of S-Methyl-N,N-diethylthiocarbamate Sulfone is C6H13NO3S.
What is the molecular weight of S-Methyl-N,N-diethylthiocarbamate Sulfone?
The molecular weight of S-Methyl-N,N-diethylthiocarbamate Sulfone is 179.06161 g/mol.
Where can I buy S-Methyl-N,N-diethylthiocarbamate Sulfone?
You can request a quote for S-Methyl-N,N-diethylthiocarbamate Sulfone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-Methyl-N,N-diethylthiocarbamate Sulfone?
Yes, CoreyChem provides custom synthesis services for S-Methyl-N,N-diethylthiocarbamate Sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.