Ethyl (5Z)-4-(3-Chloro-4-Methylphenyl)-5-(Cyanoimino)-4,5-Dihydro-1,3,4-Thiadiazole-2-Carboxylate
[CAS# 148367-89-9]

Identification

• Name: Ethyl (5Z)-4-(3-Chloro-4-Methylphenyl)-5-(Cyanoimino)-4,5-Dihydro-1,3,4-Thiadiazole-2-Carboxylate
• Synonyms: dihydro-1,3,4-thiadiazole-2-carboxylate; Ethyl 4-(3-chloro-4-methylphenyl)-5-cyanamide-4,5-; Ethyl 4-(3-chloro-4-methylphenyl)-5-cyanamide-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
• Molecular Formula: C₁₃H₁₁ClN₄O₂S
• Molecular Weight: 322.77
• CAS Registry Number: 148367-89-9
• SMILES: N#C\N=C2/S\C(=N/N2c1ccc(c(Cl)c1)C)C(=O)OCC
• InChI: 1S/C13H11ClN4O2S/c1-3-20-12(19)11-17-18(13(21-11)16-7-15)9-5-4-8(2)10(14)6-9/h4-6H,3H2,1-2H3/b16-13-
• InChIKey: MKDHDVFIEGYGOK-SSZFMOIBSA-N

Properties

• Density: 1.417g/cm³ (Cal.)
• Boiling point: 450.88°C at 760 mmHg (Cal.)
• Flash point: 226.484°C (Cal.)
• Refractive index: 1.655 (Cal.)