Ethyl (5Z)-5-(Cyanoimino)-4-[4-(2-Methyl-2-Propanyl)Phenyl]-4,5-Dihydro-1,3,4-Thiadiazole-2-Carboxylate
[CAS# 148367-92-4]

Identification

• Name: Ethyl (5Z)-5-(Cyanoimino)-4-[4-(2-Methyl-2-Propanyl)Phenyl]-4,5-Dihydro-1,3,4-Thiadiazole-2-Carboxylate
• Synonyms: dihydro-1,3,4-thiadiazole-2-carboxylate; Ethyl 4-(4-tert-butylphenyl)-5-cyanamide-4,5-
• Molecular Formula: C₁₆H₁₈N₄O₂S
• Molecular Weight: 330.40
• CAS Registry Number: 148367-92-4
• SMILES: N#C\N=C2/S\C(=N/N2c1ccc(cc1)C(C)(C)C)C(=O)OCC
• InChI: 1S/C16H18N4O2S/c1-5-22-14(21)13-19-20(15(23-13)18-10-17)12-8-6-11(7-9-12)16(2,3)4/h6-9H,5H2,1-4H3/b18-15-
• InChIKey: HREBJTOFMTZMEZ-SDXDJHTJSA-N

Properties

• Density: 1.222g/cm³ (Cal.)
• Boiling point: 435.412°C at 760 mmHg (Cal.)
• Flash point: 217.13°C (Cal.)
• Refractive index: 1.604 (Cal.)