Cas no 1249457-19-9 (2-(difluoromethyl)sulfanyl-1H-1,3-benzodiazol-6-amine)

2-(Difluoromethyl)sulfanyl-1H-1,3-benzodiazol-6-amine is a benzimidazole derivative featuring a difluoromethylthio substituent at the 2-position and an amino group at the 6-position. This compound is of interest in medicinal and agrochemical research due to its potential as a versatile intermediate for synthesizing biologically active molecules. The difluoromethylthio moiety enhances metabolic stability and lipophilicity, while the amino group provides a reactive site for further functionalization. Its structural features make it suitable for applications in drug discovery, particularly in the development of enzyme inhibitors or antimicrobial agents. The compound’s well-defined reactivity and stability under standard conditions facilitate its use in synthetic organic chemistry.
2-(difluoromethyl)sulfanyl-1H-1,3-benzodiazol-6-amine structure
1249457-19-9 structure
Product Name:2-(difluoromethyl)sulfanyl-1H-1,3-benzodiazol-6-amine
CAS No:1249457-19-9
MF:C8H7F2N3S
MW:215.223086595535
CID:5206905
PubChem ID:61357879
Update Time:2025-10-24

2-(difluoromethyl)sulfanyl-1H-1,3-benzodiazol-6-amine Chemical and Physical Properties

Names and Identifiers

    • 2-[(DIFLUOROMETHYL)SULFANYL]-1H-1,3-BENZODIAZOL-6-AMINE
    • 2-((Difluoromethyl)thio)-1h-benzo[d]imidazol-6-amine
    • 1H-Benzimidazol-6-amine, 2-[(difluoromethyl)thio]-
    • 2-(difluoromethyl)sulfanyl-1H-1,3-benzodiazol-6-amine
    • Inchi: 1S/C8H7F2N3S/c9-7(10)14-8-12-5-2-1-4(11)3-6(5)13-8/h1-3,7H,11H2,(H,12,13)
    • InChI Key: TXMBXJBKITWKOP-UHFFFAOYSA-N
    • SMILES: S(C(F)F)C1=NC2C=CC(=CC=2N1)N

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 205
  • XLogP3: 2.9
  • Topological Polar Surface Area: 80

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