Ethyl 4-(4-tert-butylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate
TL;DR: Ethyl 4-(4-tert-butylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate (CAS 148367-92-4) is a chemical compound with molecular formula C16H18N4O2S and molecular weight 330.11505 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(4-tert-butylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate
Also Known As: ethyl 4-(4-tert-butylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate, ethyl 4-(4-tert-butylphenyl)-5-cyanamide-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate, AI-067/31571044, ethyl 4-(4-tert-butylphenyl)-5-(cyanoimino)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate, Ethyl 4-(4-tert.-butylphenyl)-5-cyanamide-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
Technical Specifications
| Molecular Formula | C16H18N4O2S |
| Molecular Weight | 330.11505 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.11505 Da |
| Heavy Atoms | 23 |
| Complexity | 562.0 |
| SMILES | CCOC(=O)C1=NN(C(=NC#N)S1)C2=CC=C(C=C2)C(C)(C)C |
| InChIKey | HREBJTOFMTZMEZ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-(4-tert-butylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate
Property Insights of Ethyl 4-(4-tert-butylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate
The XLogP value of 4.7 indicates that Ethyl 4-(4-tert-butylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(4-tert-butylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(4-tert-butylphenyl)-5-cyanoimino-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
What is the CAS number of Ethyl 4-(4-tert-butylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate?
The CAS number of Ethyl 4-(4-tert-butylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate is 148367-92-4.
What is the molecular formula of Ethyl 4-(4-tert-butylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate?
The molecular formula of Ethyl 4-(4-tert-butylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate is C16H18N4O2S.
What is the molecular weight of Ethyl 4-(4-tert-butylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate?
The molecular weight of Ethyl 4-(4-tert-butylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate is 330.11505 g/mol.
Where can I buy Ethyl 4-(4-tert-butylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate?
You can request a quote for Ethyl 4-(4-tert-butylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-(4-tert-butylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-(4-tert-butylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.