Cas no 52533-09-2 (1,3,4-Oxathiazol-2-one, 5-(4-methoxyphenyl)-)

1,3,4-Oxathiazol-2-one, 5-(4-methoxyphenyl)- structure
52533-09-2 structure
Product Name:1,3,4-Oxathiazol-2-one, 5-(4-methoxyphenyl)-
CAS No:52533-09-2
MF:C9H7NO3S
MW:209.221781015396
CID:359401
PubChem ID:819456
Update Time:2025-04-19

1,3,4-Oxathiazol-2-one, 5-(4-methoxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,3,4-Oxathiazol-2-one, 5-(4-methoxyphenyl)-
    • 5-(4-methoxyphenyl)-1,3,4-oxathiazol-2-one
    • 5-(4-methoxyphenyl)-2H-1,3,4-oxathiazol-2-one
    • SSQZETVFNJLZAA-UHFFFAOYSA-N
    • AJ-797/40757639
    • SCHEMBL1425626
    • 5-(4-Methoxyphenyl)-[1,3,4]oxathiazol-2-one
    • 5-(4-methoxyphenyl)-[1,3,4]oxathiazolin-2-one
    • 52533-09-2
    • DTXSID10356085
    • Inchi: 1S/C9H7NO3S/c1-12-7-4-2-6(3-5-7)8-10-14-9(11)13-8/h2-5H,1H3
    • InChI Key: SSQZETVFNJLZAA-UHFFFAOYSA-N
    • SMILES: S1C(=O)OC(C2C=CC(=CC=2)OC)=N1

Computed Properties

  • Exact Mass: 209.01471
  • Monoisotopic Mass: 209.01466426g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 259
  • 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
  • XLogP3: 2.1
  • Topological Polar Surface Area: 73.2?2

Experimental Properties

  • PSA: 47.89

1,3,4-Oxathiazol-2-one, 5-(4-methoxyphenyl)- Related Literature

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