Cas no 157764-05-1 (2-(5-Fluorobenzodthiazol-2-yl)acetonitrile)

2-(5-Fluorobenzodthiazol-2-yl)acetonitrile structure
157764-05-1 structure
Product Name:2-(5-Fluorobenzodthiazol-2-yl)acetonitrile
CAS No:157764-05-1
MF:C9H5FN2S
MW:192.212803602219
CID:107892
PubChem ID:45077250
Update Time:2025-04-18

2-(5-Fluorobenzodthiazol-2-yl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Benzothiazoleacetonitrile,5-fluoro-
    • 2-Benzothiazoleacetonitrile,5-fluoro-(9CI)
    • Z1140015284
    • 2-Benzothiazoleacetonitrile, 5-fluoro-
    • 157764-05-1
    • AKOS022700257
    • SCHEMBL18286037
    • 2-(5-Fluorobenzo[d]thiazol-2-yl)acetonitrile
    • EN300-71440
    • E88080
    • 2-(5-fluoro-1,3-benzothiazol-2-yl)acetonitrile
    • CS-0258799
    • 2-(5-Fluorobenzodthiazol-2-yl)acetonitrile
    • Inchi： 1S/C9H5FN2S/c10-6-1-2-8-7(5-6)12-9(13-8)3-4-11/h1-2,5H,3H2
    • InChI Key： XENWBWWEEDAWOZ-UHFFFAOYSA-N
    • SMILES： S1C(CC#N)=NC2C=C(C=CC1=2)F

Computed Properties

  • Exact Mass: 192.01585
  • Monoisotopic Mass: 192.016
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 237
  • 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
  • Topological Polar Surface Area: 64.9A^2
  • XLogP3: 2.2

Experimental Properties

  • PSA: 36.68

2-(5-Fluorobenzodthiazol-2-yl)acetonitrile Pricemore >>

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