5-(1,3-Benzothiazol-2-Yl)Pentanenitrile
[CAS# 21344-53-6]

Identification

• Name: 5-(1,3-Benzothiazol-2-Yl)Pentanenitrile
• Synonyms: 2-Benzothiazolevaleronitrile; 5-(benzo[d]thiazol-2-yl)pentanenitrile
• Molecular Formula: C₁₂H₁₂N₂S
• Molecular Weight: 216.30
• CAS Registry Number: 21344-53-6
• SMILES: c1ccc2c(c1)nc(s2)CCCCC#N
• InChI: 1S/C12H12N2S/c13-9-5-1-2-8-12-14-10-6-3-4-7-11(10)15-12/h3-4,6-7H,1-2,5,8H2
• InChIKey: NIXVOTCDTSMFIF-UHFFFAOYSA-N

Properties

• Density: 1.189g/cm³ (Cal.)
• Boiling point: 394.399°C at 760 mmHg (Cal.)
• Flash point: 192.326°C (Cal.)
• Refractive index: 1.62 (Cal.)