3-(1,4-Diazepan-1-Yl)Benzo[d]Isothiazole
[CAS# 99748-44-4]

Identification

• Name: 3-(1,4-Diazepan-1-Yl)Benzo[d]Isothiazole
• Synonyms: 3-(1,4-Diazepan-1-Yl)Benzo[D]Isothiazole; Fs002098
• Molecular Formula: C₁₂H₁₅N₃S
• Molecular Weight: 233.33
• CAS Registry Number: 99748-44-4
• SMILES: C2=C1C(=NSC1=CC=C2)N3CCNCCC3
• InChI: 1S/C12H15N3S/c1-2-5-11-10(4-1)12(14-16-11)15-8-3-6-13-7-9-15/h1-2,4-5,13H,3,6-9H2
• InChIKey: JFQKDJUJUUPSJS-UHFFFAOYSA-N

Properties

• Density: 1.213g/cm³ (Cal.)
• Boiling point: 332.836°C at 760 mmHg (Cal.)
• Flash point: 155.094°C (Cal.)