5-(Difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methyl]thio}-1H-benzimidazole

• Catalog: OFC102625649
• CAS: 102625-64-9
• Category: Fluorinated Benzimidazoles
• Synonyms: Pantoprazole sulfide
• Purity: 98%
• MDL Number: MFCD07368273

• IUPAC Name: 6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]-1H-benzimidazole
• InChI: InChI=1S/C16H15F2N3O3S/c1-22-13-5-6-19-12(14(13)23-2)8-25-16-20-10-4-3-9(24-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)
• InChI Key: UKILEIRWOYBGEJ-UHFFFAOYSA-N
• Isomeric SMILES: COC1=C(C(=NC=C1)CSC2=NC3=C(N2)C=C(C=C3)OC(F)F)OC
• EC Number: 700-025-3

• Molecular Formula: C16H15F2N3O3S
• Molecular Weight: 367.37

• XLogP3-AA: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 367.08021885 g/mol
• Monoisotopic Mass: 367.08021885 g/mol
• Topological Polar Surface Area: 94.6Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 424