N-[(1E)-1,3-Butadien-1-Yl]Benzenecarbothioamide
[CAS# 170937-98-1]

Identification

• Name: N-[(1E)-1,3-Butadien-1-Yl]Benzenecarbothioamide
• Synonyms: (E)-N-(buta-1,3-dien-1-yl)benzothioamide
• Molecular Formula: C₁₁H₁₁NS
• Molecular Weight: 189.28
• CAS Registry Number: 170937-98-1
• SMILES: S=C(N\C=C\C=C)c1ccccc1
• InChI: 1S/C11H11NS/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h2-9H,1H2,(H,12,13)/b9-3+
• InChIKey: BOFQEACMHOVKHH-YCRREMRBSA-N

Properties

• Density: 1.076g/cm³ (Cal.)
• Boiling point: 290.219°C at 760 mmHg (Cal.)
• Flash point: 129.32°C (Cal.)
• Refractive index: 1.608 (Cal.)