Cas no 170862-41-6 (Benzothiazole,2-ethyl-6-fluoro-)

Benzothiazole,2-ethyl-6-fluoro- structure
170862-41-6 structure
Product Name:Benzothiazole,2-ethyl-6-fluoro-
CAS No:170862-41-6
MF:C9H8FNS
MW:181.229924201965
CID:111373
PubChem ID:17985015
Update Time:2025-04-18

Benzothiazole,2-ethyl-6-fluoro- Chemical and Physical Properties

Names and Identifiers

    • Benzothiazole,2-ethyl-6-fluoro-
    • Benzothiazole, 2-ethyl-6-fluoro- (9CI)
    • SCHEMBL6630285
    • 2-ethyl-6-fluoro-1,3-benzothiazole
    • FT-0710638
    • 170862-41-6
    • AKOS006309317
    • Benzothiazole, 2-ethyl-6-fluoro-
    • Inchi： 1S/C9H8FNS/c1-2-9-11-7-4-3-6(10)5-8(7)12-9/h3-5H,2H2,1H3
    • InChI Key： XHLAXHWHBRKZRM-UHFFFAOYSA-N
    • SMILES： S1C2C=C(C=CC=2N=C1CC)F

Computed Properties

  • Exact Mass: 181.03624
  • Monoisotopic Mass: 181.03614860g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 165
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.3
  • Topological Polar Surface Area: 41.1?2

Experimental Properties

  • PSA: 12.89

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