Isotiquimide
[CAS# 56717-18-1]

Identification

• Name: Isotiquimide
• Synonyms: Isotiquimide [Usan:Inn:Ban]; Isotiquimide; 8-Quinolinecarbothioamide, 5,6,7,8-Tetrahydro-4-Methyl-,( -)
• Molecular Formula: C₁₁H₁₄N₂S
• Molecular Weight: 206.31
• CAS Registry Number: 56717-18-1
• SMILES: C1=NC2=C(C(=C1)C)CCCC2C(N)=S
• InChI: 1S/C11H14N2S/c1-7-5-6-13-10-8(7)3-2-4-9(10)11(12)14/h5-6,9H,2-4H2,1H3,(H2,12,14)
• InChIKey: PWPWEYFVLITGNU-UHFFFAOYSA-N

Properties

• Density: 1.199g/cm³ (Cal.)
• Boiling point: 385.891°C at 760 mmHg (Cal.)
• Flash point: 187.18°C (Cal.)