1,3-Benzothiazole-2-Carbonitrile
[CAS# 2602-85-9]

Identification

• Name: 1,3-Benzothiazole-2-Carbonitrile
• Synonyms: 2-cyanobenzothiazole; Benzo[d]thiazole-2-carbonitrile; benzothiazole-2-carbonitrile
• Molecular Formula: C₈H₄N₂S
• Molecular Weight: 160.20
• CAS Registry Number: 2602-85-9
• SMILES: C1=CC=C2C(=C1)N=C(S2)C#N
• InChI: 1S/C8H4N2S/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H
• InChIKey: UYHQUNLVWOAJQW-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 293.2±23.0°C at 760 mmHg (Cal.)
• Flash point: 131.1±22.6°C (Cal.)
• Refractive index: 1.69 (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): Andrew Razgulin, Nan Ma and Jianghong Rao. Strategies for in vivo imaging of enzyme activity: an overview and recent advances, Chem. Soc. Rev., 2011, 40, 4186.