Cas no 4726-22-1 (Phenol, 2-amino-4-[[2-(sulfooxy)ethyl]sulfonyl]-)

Phenol, 2-amino-4-[[2-(sulfooxy)ethyl]sulfonyl]- structure
4726-22-1 structure
Product Name:Phenol, 2-amino-4-[[2-(sulfooxy)ethyl]sulfonyl]-
CAS No:4726-22-1
MF:C8H11NO7S2
MW:297.305440187454
CID:329507
PubChem ID:78455
Update Time:2025-04-19

Phenol, 2-amino-4-[[2-(sulfooxy)ethyl]sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • Phenol, 2-amino-4-[[2-(sulfooxy)ethyl]sulfonyl]-
    • 2-(3-amino-4-hydroxyphenyl)sulfonylethyl hydrogen sulfate
    • 2-AMINO-4-{[2-(SULFOXY)-ETHYL]SULFONYL}-PHENOL
    • AC1L2V9M
    • AC1Q6XLI
    • AG-F-60914
    • AR-1L0288
    • CTK1D6155
    • Phenol, 2-amino-4-((2-(sulfooxy)ethyl)sulfonyl)-
    • 2-(3-amino-4-hydroxyphenylsulfonyl)ethyl hydrogen sulfate
    • 4726-22-1
    • AC-13078
    • DTXSID0063577
    • AKOS015961242
    • 2-AMINO-4-([2-(SULFOXY)-ETHYL]SULFONYL)-PHENOL
    • SCHEMBL5673668
    • Inchi: 1S/C8H11NO7S2/c9-7-5-6(1-2-8(7)10)17(11,12)4-3-16-18(13,14)15/h1-2,5,10H,3-4,9H2,(H,13,14,15)
    • InChI Key: SLLSIPBBZZFAKY-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=C(C=1)N)O)(CCOS(=O)(=O)O)(=O)=O

Computed Properties

  • Exact Mass: 296.99800
  • Monoisotopic Mass: 296.99769404g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 461
  • 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: -0.9
  • Topological Polar Surface Area: 161?2

Experimental Properties

  • PSA: 160.75000
  • LogP: 2.31030
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