![2-cyanoethyl N-[acetyl(methyl)carbamoyl]oxyethanimidothioate structure](/static/products/3041/30411-37-1.webp)
2-cyanoethyl N-[acetyl(methyl)carbamoyl]oxyethanimidothioate
TL;DR: 2-cyanoethyl N-[acetyl(methyl)carbamoyl]oxyethanimidothioate (CAS 30411-37-1) is a chemical compound with molecular formula C9H13N3O3S and molecular weight 243.06776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-cyanoethyl N-[acetyl(methyl)carbamoyl]oxyethanimidothioate
Also Known As: 2-cyanoethyl (1E)-N-[acetyl(methyl)carbamoyl]oxyethanimidothioate
Technical Specifications
| Molecular Formula | C9H13N3O3S |
| Molecular Weight | 243.06776 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.06776 Da |
| Heavy Atoms | 16 |
| Complexity | 345.0 |
| SMILES | CC(=NOC(=O)N(C)C(=O)C)SCCC#N |
| InChIKey | DCKWYQIDAYBINE-UHFFFAOYSA-N |
Chemical Property Profile of 2-cyanoethyl N-[acetyl(methyl)carbamoyl]oxyethanimidothioate
Property Insights of 2-cyanoethyl N-[acetyl(methyl)carbamoyl]oxyethanimidothioate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyanoethyl N-[acetyl(methyl)carbamoyl]oxyethanimidothioate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyanoethyl N-[acetyl(methyl)carbamoyl]oxyethanimidothioate. Following Lipinski's Rule of Five, 2-cyanoethyl N-[acetyl(methyl)carbamoyl]oxyethanimidothioate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-cyanoethyl N-[acetyl(methyl)carbamoyl]oxyethanimidothioate?
The CAS number of 2-cyanoethyl N-[acetyl(methyl)carbamoyl]oxyethanimidothioate is 30411-37-1.
What is the molecular formula of 2-cyanoethyl N-[acetyl(methyl)carbamoyl]oxyethanimidothioate?
The molecular formula of 2-cyanoethyl N-[acetyl(methyl)carbamoyl]oxyethanimidothioate is C9H13N3O3S.
What is the molecular weight of 2-cyanoethyl N-[acetyl(methyl)carbamoyl]oxyethanimidothioate?
The molecular weight of 2-cyanoethyl N-[acetyl(methyl)carbamoyl]oxyethanimidothioate is 243.06776 g/mol.
Where can I buy 2-cyanoethyl N-[acetyl(methyl)carbamoyl]oxyethanimidothioate?
You can request a quote for 2-cyanoethyl N-[acetyl(methyl)carbamoyl]oxyethanimidothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-cyanoethyl N-[acetyl(methyl)carbamoyl]oxyethanimidothioate?
Yes, CoreyChem provides custom synthesis services for 2-cyanoethyl N-[acetyl(methyl)carbamoyl]oxyethanimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.