Cas no 80246-01-1 (2-(2-Aminothiazol-4-yl)-2-oxoacetic acid hydrochloride)

2-(2-Aminothiazol-4-yl)-2-oxoacetic acid hydrochloride structure
80246-01-1 structure
Product Name:2-(2-Aminothiazol-4-yl)-2-oxoacetic acid hydrochloride
CAS No:80246-01-1
MF:C5H5ClN2O3S
MW:208.622798681259
CID:2133697
Update Time:2023-08-04

2-(2-Aminothiazol-4-yl)-2-oxoacetic acid hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 2-(2-aminothiazol-4-yl)-2-oxoacetic acid hydrochloride
    • 2-(2-Aminothiazol-4-yl)-2-oxoacetic acid hydrochloride
    • Inchi: 1S/C5H4N2O3S.ClH/c6-5-7-2(1-11-5)3(8)4(9)10;/h1H,(H2,6,7)(H,9,10);1H
    • InChI Key: RZQJWJVCVKUJHE-UHFFFAOYSA-N
    • SMILES: Cl.S1C(N)=NC(C(C(=O)O)=O)=C1

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 196
  • Topological Polar Surface Area: 122
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