Ethyl (3-cyano-4,5-dimethylthiophen-2-yl)carbamate
TL;DR: Ethyl (3-cyano-4,5-dimethylthiophen-2-yl)carbamate (CAS 114210-21-8) is a chemical compound with molecular formula C10H12N2O2S and molecular weight 224.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl N-(3-cyano-4,5-dimethylthiophen-2-yl)carbamate
Also Known As: ethyl (3-cyano-4,5-dimethylthiophen-2-yl)carbamate, ethyl N-(3-cyano-4,5-dimethylthiophen-2-yl)carbamate, N-(3-cyano-4,5-dimethyl(2-thienyl))ethoxycarboxamide, Ethyl N-(3-cyano-4,5-dimethyl-thiophen-2-yl)carbamate
Technical Specifications
| Molecular Formula | C10H12N2O2S |
| Molecular Weight | 224.06195 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 90.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.06195 Da |
| Heavy Atoms | 15 |
| Complexity | 286.0 |
| SMILES | CCOC(=O)NC1=C(C(=C(S1)C)C)C#N |
| InChIKey | HKABPEBDGAZKTQ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl (3-cyano-4,5-dimethylthiophen-2-yl)carbamate
Property Insights of Ethyl (3-cyano-4,5-dimethylthiophen-2-yl)carbamate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (3-cyano-4,5-dimethylthiophen-2-yl)carbamate. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (3-cyano-4,5-dimethylthiophen-2-yl)carbamate. Following Lipinski's Rule of Five, Ethyl (3-cyano-4,5-dimethylthiophen-2-yl)carbamate 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 Ethyl (3-cyano-4,5-dimethylthiophen-2-yl)carbamate?
The CAS number of Ethyl (3-cyano-4,5-dimethylthiophen-2-yl)carbamate is 114210-21-8.
What is the molecular formula of Ethyl (3-cyano-4,5-dimethylthiophen-2-yl)carbamate?
The molecular formula of Ethyl (3-cyano-4,5-dimethylthiophen-2-yl)carbamate is C10H12N2O2S.
What is the molecular weight of Ethyl (3-cyano-4,5-dimethylthiophen-2-yl)carbamate?
The molecular weight of Ethyl (3-cyano-4,5-dimethylthiophen-2-yl)carbamate is 224.06195 g/mol.
Where can I buy Ethyl (3-cyano-4,5-dimethylthiophen-2-yl)carbamate?
You can request a quote for Ethyl (3-cyano-4,5-dimethylthiophen-2-yl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl (3-cyano-4,5-dimethylthiophen-2-yl)carbamate?
Yes, CoreyChem provides custom synthesis services for Ethyl (3-cyano-4,5-dimethylthiophen-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.