5-Amino-1H-Benzimidazol-4-Yl Thiocyanate
[CAS# 339366-94-8]

Identification

• Name: 5-Amino-1H-Benzimidazol-4-Yl Thiocyanate
• Synonyms: 4-thiocyanato-1H-benzo[d]imidazol-5-amine; THIOCYANIC ACID,6-AMINO-1H-BENZIMIDAZOL-7-YL ESTER
• Molecular Formula: C₈H₆N₄S
• Molecular Weight: 190.23
• CAS Registry Number: 339366-94-8
• SMILES: c1cc2c(c(c1N)SC#N)[nH]cn2
• InChI: 1S/C8H6N4S/c9-3-13-8-5(10)1-2-6-7(8)12-4-11-6/h1-2,4H,10H2,(H,11,12)
• InChIKey: WXSSDPCWRLSCHR-UHFFFAOYSA-N

Properties

• Density: 1.53g/cm³ (Cal.)
• Boiling point: 523.709°C at 760 mmHg (Cal.)
• Flash point: 270.53°C (Cal.)
• Refractive index: 1.782 (Cal.)