Ethyl 5-cyanoimino-4-(3,5-dichlorophenyl)-1,3,4-thiadiazole-2-carboxylate
TL;DR: Ethyl 5-cyanoimino-4-(3,5-dichlorophenyl)-1,3,4-thiadiazole-2-carboxylate (CAS 148367-85-5) is a chemical compound with molecular formula C12H8Cl2N4O2S and molecular weight 341.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyanoimino-4-(3,5-dichlorophenyl)-1,3,4-thiadiazole-2-carboxylate
Also Known As: ethyl 5-cyanoimino-4-(3,5-dichlorophenyl)-1,3,4-thiadiazole-2-carboxylate, AI-067/31571047, Ethyl 5-cyanamide-4-(3,5-dichlorophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate, ethyl 5-cyanoimino-4-(3,5-dichlorophenyl)-1,3,4-thiadiazole-, ethyl 5-(cyanoimino)-4-(3,5-dichlorophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
| Molecular Formula | C12H8Cl2N4O2S |
|---|---|
| Molecular Weight | 341.97 g/mol |
| LogP | 2.79908 |
| Topological Polar Surface Area | 80.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.9745 |
| Heavy Atoms | 21 |
| Complexity | 771.0356 |
Chemical Identifiers
| CAS Number | 148367-85-5 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=NC#N)S1)C2=CC(=CC(=C2)Cl)Cl |
Product Overview
Ethyl 5-cyanoimino-4-(3,5-dichlorophenyl)-1,3,4-thiadiazole-2-carboxylate (CAS 148367-85-5), with molecular formula C12H8Cl2N4O2S and molecular weight 341.97 g/mol. IUPAC: ethyl 5-cyanoimino-4-(3,5-dichlorophenyl)-1,3,4-thiadiazole-2-carboxylate.
Chemical Property Profile of Ethyl 5-cyanoimino-4-(3,5-dichlorophenyl)-1,3,4-thiadiazole-2-carboxylate
Property Insights of Ethyl 5-cyanoimino-4-(3,5-dichlorophenyl)-1,3,4-thiadiazole-2-carboxylate
The XLogP value of 2.79908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-cyanoimino-4-(3,5-dichlorophenyl)-1,3,4-thiadiazole-2-carboxylate. The TPSA of 80.27 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-cyanoimino-4-(3,5-dichlorophenyl)-1,3,4-thiadiazole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-cyanoimino-4-(3,5-dichlorophenyl)-1,3,4-thiadiazole-2-carboxylate 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
Frequently Asked Questions
What is the CAS number of Ethyl 5-cyanoimino-4-(3,5-dichlorophenyl)-1,3,4-thiadiazole-2-carboxylate?
The CAS number of Ethyl 5-cyanoimino-4-(3,5-dichlorophenyl)-1,3,4-thiadiazole-2-carboxylate is 148367-85-5.
What is the molecular formula of Ethyl 5-cyanoimino-4-(3,5-dichlorophenyl)-1,3,4-thiadiazole-2-carboxylate?
The molecular formula of Ethyl 5-cyanoimino-4-(3,5-dichlorophenyl)-1,3,4-thiadiazole-2-carboxylate is C12H8Cl2N4O2S.
What is the molecular weight of Ethyl 5-cyanoimino-4-(3,5-dichlorophenyl)-1,3,4-thiadiazole-2-carboxylate?
The molecular weight of Ethyl 5-cyanoimino-4-(3,5-dichlorophenyl)-1,3,4-thiadiazole-2-carboxylate is 341.97 g/mol.
Where can I buy Ethyl 5-cyanoimino-4-(3,5-dichlorophenyl)-1,3,4-thiadiazole-2-carboxylate?
You can request a quote for Ethyl 5-cyanoimino-4-(3,5-dichlorophenyl)-1,3,4-thiadiazole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-cyanoimino-4-(3,5-dichlorophenyl)-1,3,4-thiadiazole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-cyanoimino-4-(3,5-dichlorophenyl)-1,3,4-thiadiazole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.