2-(1,3-Benzothiazol-2-Yl)-3-Methylbutanenitrile
[CAS# 115616-07-4]

Identification

• Name: 2-(1,3-Benzothiazol-2-Yl)-3-Methylbutanenitrile
• Synonyms: 2-(benzo[d]thiazol-2-yl)-3-methylbutanenitrile
• Molecular Formula: C₁₂H₁₂N₂S
• Molecular Weight: 216.30
• CAS Registry Number: 115616-07-4
• SMILES: CC(C)C(C#N)c1nc2ccccc2s1
• InChI: 1S/C12H12N2S/c1-8(2)9(7-13)12-14-10-5-3-4-6-11(10)15-12/h3-6,8-9H,1-2H3
• InChIKey: MSRPGOMBYKHGMG-UHFFFAOYSA-N

Properties

• Density: 1.181g/cm³ (Cal.)
• Boiling point: 343.108°C at 760 mmHg (Cal.)
• Flash point: 161.307°C (Cal.)
• Refractive index: 1.615 (Cal.)