6-Nitro-1H-Benzimidazole-4-Thiol
[CAS# 101083-91-4]

Identification

• Name: 6-Nitro-1H-Benzimidazole-4-Thiol
• Synonyms: 6-nitro-1H-benzo[d]imidazole-4-thiol
• Molecular Formula: C₇H₅N₃O₂S
• Molecular Weight: 195.20
• CAS Registry Number: 101083-91-4
• SMILES: C1=C(C=C(C2=C1NC=N2)S)[N+](=O)[O-]
• InChI: 1S/C7H5N3O2S/c11-10(12)4-1-5-7(6(13)2-4)9-3-8-5/h1-3,13H,(H,8,9)
• InChIKey: PSFKBOPSUVUPSE-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 518.8±35.0°C at 760 mmHg (Cal.)
• Flash point: 267.5±25.9°C (Cal.)
• Refractive index: 1.805 (Cal.)