Ethyl 4-(2-chloroethylamino)-1,2,5-thiadiazole-3-carboxylate
TL;DR: Ethyl 4-(2-chloroethylamino)-1,2,5-thiadiazole-3-carboxylate (CAS 147194-42-1) is a chemical compound with molecular formula C7H10ClN3O2S and molecular weight 235.01822 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(2-chloroethylamino)-1,2,5-thiadiazole-3-carboxylate
Also Known As: BAS 00928592, ethyl 4-(2-chloroethylamino)-1,2,5-thiadiazole-3-carboxylate, ethyl 4-[(2-chloroethyl)amino]-1,2,5-thiadiazole-3-carboxylate, ethyl 4-((2-chloroethyl)amino)-1,2,5-thiadiazole-3-carboxylate, 4-(2-Chloro-ethylamino)-[1,2,5]thiadiazole-3-carboxylic acid ethyl ester
Technical Specifications
| Molecular Formula | C7H10ClN3O2S |
| Molecular Weight | 235.01822 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 235.01822 Da |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
| SMILES | CCOC(=O)C1=NSN=C1NCCCl |
| InChIKey | BPFJOQLHZZQXKA-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-(2-chloroethylamino)-1,2,5-thiadiazole-3-carboxylate
Property Insights of Ethyl 4-(2-chloroethylamino)-1,2,5-thiadiazole-3-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(2-chloroethylamino)-1,2,5-thiadiazole-3-carboxylate. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(2-chloroethylamino)-1,2,5-thiadiazole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(2-chloroethylamino)-1,2,5-thiadiazole-3-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 4-(2-chloroethylamino)-1,2,5-thiadiazole-3-carboxylate?
The CAS number of Ethyl 4-(2-chloroethylamino)-1,2,5-thiadiazole-3-carboxylate is 147194-42-1.
What is the molecular formula of Ethyl 4-(2-chloroethylamino)-1,2,5-thiadiazole-3-carboxylate?
The molecular formula of Ethyl 4-(2-chloroethylamino)-1,2,5-thiadiazole-3-carboxylate is C7H10ClN3O2S.
What is the molecular weight of Ethyl 4-(2-chloroethylamino)-1,2,5-thiadiazole-3-carboxylate?
The molecular weight of Ethyl 4-(2-chloroethylamino)-1,2,5-thiadiazole-3-carboxylate is 235.01822 g/mol.
Where can I buy Ethyl 4-(2-chloroethylamino)-1,2,5-thiadiazole-3-carboxylate?
You can request a quote for Ethyl 4-(2-chloroethylamino)-1,2,5-thiadiazole-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-(2-chloroethylamino)-1,2,5-thiadiazole-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-(2-chloroethylamino)-1,2,5-thiadiazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.