Cas no 20804-27-7 (Benzenesulfonic acid,4-amino-3,5-dimethyl-)

Benzenesulfonic acid,4-amino-3,5-dimethyl- structure
20804-27-7 structure
Product Name:Benzenesulfonic acid,4-amino-3,5-dimethyl-
CAS No:20804-27-7
MF:C8H11NO3S
MW:201.242841005325
MDL:MFCD05999098
CID:286017
PubChem ID:238036
Update Time:2025-04-19

Benzenesulfonic acid,4-amino-3,5-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,4-amino-3,5-dimethyl-
    • 4-amino-3,5-dimethylbenzenesulfonic acid
    • 2,6-dimethyl-4-sulfanylic acid
    • 2,6-dimethyl-4-sulfonic acid
    • 2,6-dimethylaniline-4-sulfonic acid
    • 2.6-Dimethylanilin-4-sulfonsaeure
    • 2-Amino-1.3-dimethyl-benzol-5-sulfonsaeure
    • 3,5-dimethylsulphanilic acid
    • 4-AMINO-3,5-DIMETHYL-BENZENESULFONIC ACID
    • 4-Amino-3,5-xylolsulfonsaeure
    • AC1L603H
    • AC1Q6WHN
    • Ambcb7919517
    • CTK4E5166
    • NSC42166
    • SR-01000286297
    • SY271907
    • SCHEMBL5685409
    • MFCD05999098
    • 3,5-dimethyl-4-aminobenzenesulfonic acid
    • NSC-42166
    • DTXSID10285528
    • 4-Amino-3,5-dimethylbenzene-1-sulfonic acid
    • Benzenesulfonic acid, 4-amino-3,5-dimethyl-
    • 20804-27-7
    • SR-01000286297-1
    • MDL: MFCD05999098
    • Inchi: 1S/C8H11NO3S/c1-5-3-7(13(10,11)12)4-6(2)8(5)9/h3-4H,9H2,1-2H3,(H,10,11,12)
    • InChI Key: KOUGFWUPYWULKP-UHFFFAOYSA-N
    • SMILES: S(C1C=C(C)C(=C(C)C=1)N)(=O)(=O)O

Computed Properties

  • Exact Mass: 201.04603
  • Monoisotopic Mass: 201.04596439g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 258
  • 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: 0.7
  • Topological Polar Surface Area: 88.8?2

Experimental Properties

  • PSA: 80.39

Benzenesulfonic acid,4-amino-3,5-dimethyl- Pricemore >>

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