2-[(2-Pyridinylmethyl)Thio]-1H-Benzimidazole-5-Sulphonic Acid
[CAS# 28020-71-5]

Identification

• Name: 2-[(2-Pyridinylmethyl)Thio]-1H-Benzimidazole-5-Sulphonic Acid
• Synonyms: 2-(2-Pyridylmethylsulfanyl)-3H-Benzimidazole-5-Sulfonic Acid; 2-(2-Pyridylmethylthio)-3H-Benzimidazole-5-Sulfonic Acid; 2-((2-Pyridinylmethyl)Thio)-1H-Benzimidazole-5-Sulphonic Acid
• Molecular Formula: C₁₃H₁₁N₃O₃S₂
• Molecular Weight: 321.37
• CAS Registry Number: 28020-71-5
• EINECS: 248-782-4
• SMILES: C1=C([S](=O)(=O)O)C=CC2=C1[NH]C(=N2)SCC3=NC=CC=C3
• InChI: 1S/C13H11N3O3S2/c17-21(18,19)10-4-5-11-12(7-10)16-13(15-11)20-8-9-3-1-2-6-14-9/h1-7H,8H2,(H,15,16)(H,17,18,19)
• InChIKey: WMVRGOPCKSLXKV-UHFFFAOYSA-N

Properties

• Density: 1.635g/cm³ (Cal.)