Cas no 85616-26-8 (1-(2-amino-4-thiazolyl)-1-Butanone)

1-(2-amino-4-thiazolyl)-1-Butanone structure
85616-26-8 structure
Product Name:1-(2-amino-4-thiazolyl)-1-Butanone
CAS No:85616-26-8
MF:C7H10N2OS
MW:170.232100009918
CID:2133183
Update Time:2023-11-18

1-(2-amino-4-thiazolyl)-1-Butanone Chemical and Physical Properties

Names and Identifiers

    • 1-(2-amino-4-thiazolyl)-1-Butanone
    • 1-(2-AMINO-1,3-THIAZOL-4-YL)BUTAN-1-ONE
    • CID 13040576
    • 1-Butanone, 1-(2-amino-4-thiazolyl)-
    • Inchi: 1S/C7H10N2OS/c1-2-3-6(10)5-4-11-7(8)9-5/h4H,2-3H2,1H3,(H2,8,9)
    • InChI Key: BWUZHCFDNHJEJI-UHFFFAOYSA-N
    • SMILES: S1C(N)=NC(=C1)C(CCC)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 151
  • Topological Polar Surface Area: 84.2

Experimental Properties

  • Density: 1.225±0.06 g/cm3(Predicted)
  • Boiling Point: 320.1±15.0 °C(Predicted)
  • pka: 2.46±0.10(Predicted)

1-(2-amino-4-thiazolyl)-1-Butanone Pricemore >>

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