6-Chloro-5-fluorobenzimidazole-2-thiol

• Catalog: OFC142313302
• CAS: 142313-30-2
• Category: Fluorinated Benzimidazoles
• Synonyms: 6-chloro-5-fluoro-1H-benzo[d]imidazole-2-thiol
• Purity: 97%
• MDL Number: MFCD00052490

• IUPAC Name: 5-chloro-6-fluoro-1,3-dihydrobenzimidazole-2-thione
• InChI: InChI=1S/C7H4ClFN2S/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,(H2,10,11,12)
• InChI Key: DQXCFZSRGLNXKW-UHFFFAOYSA-N
• Isomeric SMILES: C1=C2C(=CC(=C1F)Cl)NC(=S)N2

• Molecular Formula: C7H4ClFN2S
• Molecular Weight: 202.64
• Melting Point: 298-301 °C

• XLogP3-AA: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 201.9767752 g/mol
• Monoisotopic Mass: 201.9767752 g/mol
• Topological Polar Surface Area: 56.2Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 214