Ethyl 4-(4-tert-butylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate

Base Information

• Chemical Name: Ethyl 4-(4-tert-butylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate
• CAS No.: 148367-92-4
• Molecular Formula: C16H18 N4 O2 S
• Molecular Weight: 330.4
• DSSTox Substance ID: DTXSID70375712
• Mol file: 148367-92-4.mol

Synonyms:148367-92-4;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;DTXSID70375712;HREBJTOFMTZMEZ-UHFFFAOYSA-N;MFCD00846956;Ethyl 4-(4-tert.-butylphenyl)-5-cyanamide-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate;Ethyl 4-(4-tert.-butylphenyl)-5-cyanimino-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate

Chemical Property of Ethyl 4-(4-tert-butylphenyl)-5-cyanoimino-1,3,4-thiadiazole-2-carboxylate

Chemical Property:

• Vapor Pressure: 8.77E-08mmHg at 25°C
• Refractive Index: 1.604
• Boiling Point: 435.4°C at 760 mmHg
• Flash Point: 217.1°C
• PSA: 108.51000
• Density: 1.22g/cm³
• LogP: 2.78978
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 330.11504700
• Heavy Atom Count: 23
• Complexity: 562

Purity/Quality:

95% ^*data from raw suppliers

ETHYL 4-(4-TERT-BUTYLPHENYL)-5-CYANAMIDE-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-CARBOXYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=NN(C(=NC#N)S1)C2=CC=C(C=C2)C(C)(C)C