5-Fluoro-6-methyl-1H-benzo[d]imidazole-2(3H)-thione

• Catalog: OFC106039718
• CAS: 106039-71-8
• Category: Fluorinated Benzimidazoles
• Synonyms: 2H-Benzimidazole-2-thione,5-fluoro-1,3-dihydro-6-methyl-(9CI)
• Purity: 97%

• IUPAC Name: 5-fluoro-6-methyl-1,3-dihydrobenzimidazole-2-thione
• InChI: InChI=1S/C8H7FN2S/c1-4-2-6-7(3-5(4)9)11-8(12)10-6/h2-3H,1H3,(H2,10,11,12)
• InChI Key: ZISYPNQQIIJWLS-UHFFFAOYSA-N
• Isomeric SMILES: CC1=CC2=C(C=C1F)NC(=S)N2

• Molecular Formula: C8H7FN2S
• Molecular Weight: 182.22

• XLogP3-AA: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 182.03139757 g/mol
• Monoisotopic Mass: 182.03139757 g/mol
• Topological Polar Surface Area: 56.2Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 209