Cas no 128-55-2 (Benzenesulfonic acid,2,6-diamino-4-methyl-)

Benzenesulfonic acid,2,6-diamino-4-methyl- structure
128-55-2 structure
Product Name:Benzenesulfonic acid,2,6-diamino-4-methyl-
CAS No:128-55-2
MF:C7H10N2O3S
MW:202.230900287628
CID:146905
PubChem ID:222229
Update Time:2025-04-19

Benzenesulfonic acid,2,6-diamino-4-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,2,6-diamino-4-methyl-
    • 2,6-diamino-4-methylbenzenesulfonic acid
    • SCHEMBL17878197
    • 128-55-2
    • NSC7836
    • DTXSID60278506
    • Benzenesulfonic acid,6-diamino-4-methyl-
    • NSC-7836
    • 3,5-Diamino-p-toluolsulfonsaure
    • 2,6-Diamino-p-toluenesulfonic acid
    • p-Toluenesulfonic acid,6-diamino-
    • Inchi: 1S/C7H10N2O3S/c1-4-2-5(8)7(6(9)3-4)13(10,11)12/h2-3H,8-9H2,1H3,(H,10,11,12)
    • InChI Key: MNAWGAORJBFMTQ-UHFFFAOYSA-N
    • SMILES: S(C1C(=CC(C)=CC=1N)N)(=O)(=O)O

Computed Properties

  • Exact Mass: 202.0413
  • Monoisotopic Mass: 202.041
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 260
  • 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: 0.8
  • Topological Polar Surface Area: 115?2

Experimental Properties

  • Density: 1.52
  • Refractive Index: 1.657
  • PSA: 106.41

Benzenesulfonic acid,2,6-diamino-4-methyl- Related Literature

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