Cas no 297731-21-6 (3(2H)-Isothiazolone,5-amino-2-methyl-)

3(2H)-Isothiazolone,5-amino-2-methyl- structure
297731-21-6 structure
Product Name:3(2H)-Isothiazolone,5-amino-2-methyl-
CAS No:297731-21-6
MF:C4H6N2OS
MW:130.168239116669
CID:249254
Update Time:2024-01-26

3(2H)-Isothiazolone,5-amino-2-methyl- Chemical and Physical Properties

Names and Identifiers

    • 3(2H)-Isothiazolone,5-amino-2-methyl-
    • 3(2H)-Isothiazolone,5-amino-2-methyl-(9CI)
    • 5-amino-2-methyl-1,2-thiazol-3-one
    • 3(2H)-Isothiazolone, 5-amino-2-methyl-
    • Inchi: 1S/C4H6N2OS/c1-6-4(7)2-3(5)8-6/h2H,5H2,1H3
    • InChI Key: HBLRUQADTMXYET-UHFFFAOYSA-N
    • SMILES: S1C(N)=CC(=O)N1C

Computed Properties

  • Exact Mass: 130.02018

Experimental Properties

  • Density: 1.375±0.06 g/cm3(Predicted)
  • Boiling Point: 223.7±43.0 °C(Predicted)
  • PSA: 46.33
  • pka: 2.63±0.20(Predicted)
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