![ethyl (2E)-2-cyano-2-[1-[2-(dimethylaminomethylideneamino)-2-sulfanylideneethyl]pyrrolidin-2-ylidene]acetate structure](/static/products/1110/111038-14-3.webp)
ethyl (2E)-2-cyano-2-[1-[2-(dimethylaminomethylideneamino)-2-sulfanylideneethyl]pyrrolidin-2-ylidene]acetate
TL;DR: ethyl (2E)-2-cyano-2-[1-[2-(dimethylaminomethylideneamino)-2-sulfanylideneethyl]pyrrolidin-2-ylidene]acetate (CAS 111038-14-3) is a chemical compound with molecular formula C14H20N4O2S and molecular weight 308.1307 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2E)-2-cyano-2-[1-[2-(dimethylaminomethylideneamino)-2-sulfanylideneethyl]pyrrolidin-2-ylidene]acetate
Also Known As: ethyl (2E)-2-cyano-2-[1-[2-(dimethylaminomethylideneamino)-2-sulfanylideneethyl]pyrrolidin-2-ylidene]acetate, Acetic acid, cyano(1-(2-(((dimethylamino)methylene)amino)-2-thioxoethyl)-2-pyrrolidinylidene)-, ethyl ester, ethyl 2-cyano-2-[1-[2-(dimethylaminomethylideneamino)-2-sulfanylideneethyl]pyrrolidin-2-ylidene]acetate, Acetic acid,2-cyano-2-[1-[2-[[(dimethylamino)methylene]amino]-2-thioxoethyl]-2-pyrrolidinylidene]-,ethyl ester, Ethyl (2E)-2-cyano-2-[1-(dimethylaminomethylidenethiocarbamoylmethyl)pyrrolidin-2-ylidene]acetate
Technical Specifications
| Molecular Formula | C14H20N4O2S |
| Molecular Weight | 308.1307 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 308.1307 Da |
| Heavy Atoms | 21 |
| Complexity | 516.0 |
| SMILES | CCOC(=O)/C(=C/1\CCCN1CC(=S)N=CN(C)C)/C#N |
| InChIKey | WJAJIUDPXWHFJN-MERKQMAKSA-N |
Chemical Property Profile of ethyl (2E)-2-cyano-2-[1-[2-(dimethylaminomethylideneamino)-2-sulfanylideneethyl]pyrrolidin-2-ylidene]acetate
Property Insights of ethyl (2E)-2-cyano-2-[1-[2-(dimethylaminomethylideneamino)-2-sulfanylideneethyl]pyrrolidin-2-ylidene]acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2E)-2-cyano-2-[1-[2-(dimethylaminomethylideneamino)-2-sulfanylideneethyl]pyrrolidin-2-ylidene]acetate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2E)-2-cyano-2-[1-[2-(dimethylaminomethylideneamino)-2-sulfanylideneethyl]pyrrolidin-2-ylidene]acetate. Following Lipinski's Rule of Five, ethyl (2E)-2-cyano-2-[1-[2-(dimethylaminomethylideneamino)-2-sulfanylideneethyl]pyrrolidin-2-ylidene]acetate has 0 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 ethyl (2E)-2-cyano-2-[1-[2-(dimethylaminomethylideneamino)-2-sulfanylideneethyl]pyrrolidin-2-ylidene]acetate?
The CAS number of ethyl (2E)-2-cyano-2-[1-[2-(dimethylaminomethylideneamino)-2-sulfanylideneethyl]pyrrolidin-2-ylidene]acetate is 111038-14-3.
What is the molecular formula of ethyl (2E)-2-cyano-2-[1-[2-(dimethylaminomethylideneamino)-2-sulfanylideneethyl]pyrrolidin-2-ylidene]acetate?
The molecular formula of ethyl (2E)-2-cyano-2-[1-[2-(dimethylaminomethylideneamino)-2-sulfanylideneethyl]pyrrolidin-2-ylidene]acetate is C14H20N4O2S.
What is the molecular weight of ethyl (2E)-2-cyano-2-[1-[2-(dimethylaminomethylideneamino)-2-sulfanylideneethyl]pyrrolidin-2-ylidene]acetate?
The molecular weight of ethyl (2E)-2-cyano-2-[1-[2-(dimethylaminomethylideneamino)-2-sulfanylideneethyl]pyrrolidin-2-ylidene]acetate is 308.1307 g/mol.
Where can I buy ethyl (2E)-2-cyano-2-[1-[2-(dimethylaminomethylideneamino)-2-sulfanylideneethyl]pyrrolidin-2-ylidene]acetate?
You can request a quote for ethyl (2E)-2-cyano-2-[1-[2-(dimethylaminomethylideneamino)-2-sulfanylideneethyl]pyrrolidin-2-ylidene]acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl (2E)-2-cyano-2-[1-[2-(dimethylaminomethylideneamino)-2-sulfanylideneethyl]pyrrolidin-2-ylidene]acetate?
Yes, CoreyChem provides custom synthesis services for ethyl (2E)-2-cyano-2-[1-[2-(dimethylaminomethylideneamino)-2-sulfanylideneethyl]pyrrolidin-2-ylidene]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.