5-(Difluoromethoxy)-2-mercaptobenzimidazole

• Catalog: OFC97963627-2
• CAS: 97963-62-7
• Category: Fluorinated Benzimidazoles
• Synonyms: 5-(Difluoromethoxy)-2-benzimidazolethiol
• Purity: >98.0%(T)(HPLC)
• MDL Number: MFCD00467504

• IUPAC Name: 5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione
• InChI: InChI=1S/C8H6F2N2OS/c9-7(10)13-4-1-2-5-6(3-4)12-8(14)11-5/h1-3,7H,(H2,11,12,14)
• InChI Key: HJMVPNAZPFZXCP-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C=C1OC(F)F)NC(=S)N2
• EC Number: 417-780-7
• Reaxys Registry Number: 5335745

• Molecular Formula: C8H6F2N2OS
• Molecular Weight: 216.21
• Melting Point: 243 °C
• Appearance: White to orange to Green powder to crystal
• Solubility: Soluble in methanol

• XLogP3-AA: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 216.01689032 g/mol
• Monoisotopic Mass: 216.01689032 g/mol
• Topological Polar Surface Area: 65.4Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 239

• HS Number: 2933.99.8290