(2E)-2-(3-Propyl-1,3-Benzothiazol-2(3H)-Ylidene)-3-Sulfanylpropanenitrile
[CAS# 153124-23-3]

Identification

• Name: (2E)-2-(3-Propyl-1,3-Benzothiazol-2(3H)-Ylidene)-3-Sulfanylpropanenitrile
• Synonyms: (E)-3-mercapto-2-(3-propylbenzo[d]thiazol-2(3H)-ylidene)propanenitrile
• Molecular Formula: C₁₃H₁₄N₂S₂
• Molecular Weight: 262.39
• CAS Registry Number: 153124-23-3
• SMILES: CCCN\1c2ccccc2S/C1=C(/CS)\C#N
• InChI: 1S/C13H14N2S2/c1-2-7-15-11-5-3-4-6-12(11)17-13(15)10(8-14)9-16/h3-6,16H,2,7,9H2,1H3/b13-10+
• InChIKey: UPUGSOIFXZZBRF-JLHYYAGUSA-N

Properties

• Density: 1.235g/cm³ (Cal.)
• Boiling point: 386.546°C at 760 mmHg (Cal.)
• Flash point: 187.576°C (Cal.)
• Refractive index: 1.636 (Cal.)