Cas no 73529-91-6 (Benzothiazole,2-ethyl-5-isothiocyanato-)

Benzothiazole,2-ethyl-5-isothiocyanato- structure
73529-91-6 structure
Product Name:Benzothiazole,2-ethyl-5-isothiocyanato-
CAS No:73529-91-6
MF:C10H8N2S2
MW:220.313919067383
CID:552794
Update Time:2024-03-05

Benzothiazole,2-ethyl-5-isothiocyanato- Chemical and Physical Properties

Names and Identifiers

    • Benzothiazole,2-ethyl-5-isothiocyanato-
    • Benzothiazole, 2-ethyl-5-isothiocyanato- (9CI)
    • Benzothiazole, 2-ethyl-5-isothiocyanato-
    • Inchi： 1S/C10H8N2S2/c1-2-10-12-8-5-7(11-6-13)3-4-9(8)14-10/h3-5H,2H2,1H3
    • InChI Key： YSAXHYQFYVQRPF-UHFFFAOYSA-N
    • SMILES： S1C2=CC=C(N=C=S)C=C2N=C1CC

Computed Properties

  • Exact Mass: 220.013
  • Monoisotopic Mass: 220.013
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 251
  • 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: 85.6A^2

Benzothiazole,2-ethyl-5-isothiocyanato- Related Literature

73529-91-6 (Benzothiazole,2-ethyl-5-isothiocyanato-) Related Products

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