4-Chloro-6-(trifluoromethyl)-1H-benzo[d]imidazol-2-thiol

• Catalog: OFC175135189
• CAS: 175135-18-9
• Category: Fluorinated Benzimidazoles
• Synonyms: 4-Chloro-2-mercapto-6-(trifluoromethyl)benzimidazole
• MDL Number: MFCD00067738

• IUPAC Name: 4-chloro-6-(trifluoromethyl)-1,3-dihydrobenzimidazole-2-thione
• InChI: InChI=1S/C8H4ClF3N2S/c9-4-1-3(8(10,11)12)2-5-6(4)14-7(15)13-5/h1-2H,(H2,13,14,15)
• InChI Key: HPLKCIAVCNSXLZ-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C=C(C2=C1NC(=S)N2)Cl)C(F)(F)F
• EC Number: 671-981-6

• Molecular Formula: C8H4ClF3N2S
• Molecular Weight: 252.64

• XLogP3-AA: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 251.9735815 g/mol
• Monoisotopic Mass: 251.9735815 g/mol
• Topological Polar Surface Area: 56.2Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 284