4-(1H-Imidazol-4-yl)butanethioamide
[CAS# 745766-75-0]

Identification

• Name: 4-(1H-Imidazol-4-yl)butanethioamide
• Synonyms: 1H-Imidazole-4-butanethioamide; 1H-IMIDAZOLE-5-BUTANETHIOAMIDE; 4-(1H-imidazol-4-yl)butanethioamide
• Molecular Formula: C₇H₁₁N₃S
• Molecular Weight: 169.25
• CAS Registry Number: 745766-75-0
• SMILES: c1c([nH]cn1)CCCC(=S)N
• InChI: 1S/C7H11N3S/c8-7(11)3-1-2-6-4-9-5-10-6/h4-5H,1-3H2,(H2,8,11)(H,9,10)
• InChIKey: YSOADVXYKGIAAC-UHFFFAOYSA-N

Properties

• Density: 1.249g/cm³ (Cal.)
• Boiling point: 425.152°C at 760 mmHg (Cal.)
• Flash point: 210.925°C (Cal.)
• Refractive index: 1.634 (Cal.)