ethyl 5-sulfanylidene-2H-thiadiazole-4-carboxylate
TL;DR: ethyl 5-sulfanylidene-2H-thiadiazole-4-carboxylate (CAS 120405-11-0) is a chemical compound with molecular formula C5H6N2O2S2 and molecular weight 189.98708 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-sulfanylidene-2H-thiadiazole-4-carboxylate
Also Known As: ethyl 5-mercapto-1,2,3-thiadiazole-4-carboxylate, Ethyl 5-sulfanylidene-2H-thiadiazole-4-carboxylate, ethyl 5-sulfanyl-1,2,3-thiadiazole-4-carboxylate
Technical Specifications
| Molecular Formula | C5H6N2O2S2 |
| Molecular Weight | 189.98708 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.98708 Da |
| Heavy Atoms | 11 |
| Complexity | 227.0 |
| SMILES | CCOC(=O)C1=NNSC1=S |
| InChIKey | WOCATLQXJDZISO-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 5-sulfanylidene-2H-thiadiazole-4-carboxylate
Property Insights of ethyl 5-sulfanylidene-2H-thiadiazole-4-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-sulfanylidene-2H-thiadiazole-4-carboxylate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-sulfanylidene-2H-thiadiazole-4-carboxylate. Following Lipinski's Rule of Five, ethyl 5-sulfanylidene-2H-thiadiazole-4-carboxylate has 1 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 ethyl 5-sulfanylidene-2H-thiadiazole-4-carboxylate?
The CAS number of ethyl 5-sulfanylidene-2H-thiadiazole-4-carboxylate is 120405-11-0.
What is the molecular formula of ethyl 5-sulfanylidene-2H-thiadiazole-4-carboxylate?
The molecular formula of ethyl 5-sulfanylidene-2H-thiadiazole-4-carboxylate is C5H6N2O2S2.
What is the molecular weight of ethyl 5-sulfanylidene-2H-thiadiazole-4-carboxylate?
The molecular weight of ethyl 5-sulfanylidene-2H-thiadiazole-4-carboxylate is 189.98708 g/mol.
Where can I buy ethyl 5-sulfanylidene-2H-thiadiazole-4-carboxylate?
You can request a quote for ethyl 5-sulfanylidene-2H-thiadiazole-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 5-sulfanylidene-2H-thiadiazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 5-sulfanylidene-2H-thiadiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.