Cas no 27897-08-1 (Benzenesulfonic acid,4-amino-2,5-dimethyl-)

Benzenesulfonic acid,4-amino-2,5-dimethyl- structure
27897-08-1 structure
Product Name:Benzenesulfonic acid,4-amino-2,5-dimethyl-
CAS No:27897-08-1
MF:C8H11NO3S
MW:201.242841005325
CID:266497
PubChem ID:119744
Update Time:2025-04-19

Benzenesulfonic acid,4-amino-2,5-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,4-amino-2,5-dimethyl-
    • 2-AMINO-4-(ETHYLSULFONYL)PHENOL
    • 4-amino-2,5-dimethylbenzenesulfonic acid
    • 2,5-Dimethylsulfanilic acid
    • 2,5-Dimethylsulphanilic acid
    • 2-Amino-1,4-dimethylbenzene-5-sulfonic acid
    • 2,5-dimethyl-4-aminobenzenesulfonic acid
    • SCHEMBL7757151
    • NS00028383
    • EINECS 248-718-5
    • 4-Amino-2,5-xylenesulfonic acid
    • 4-amino-2,5-dimethyl-benzenesulfonic acid
    • 367YWG3CZ4
    • QTYQPEBQHHUSIK-UHFFFAOYSA-N
    • Benzenesulfonic acid, 4-amino-2,5-dimethyl-
    • DTXSID5067346
    • 27897-08-1
    • Inchi: 1S/C8H11NO3S/c1-5-4-8(13(10,11)12)6(2)3-7(5)9/h3-4H,9H2,1-2H3,(H,10,11,12)
    • InChI Key: QTYQPEBQHHUSIK-UHFFFAOYSA-N
    • SMILES: S(C1C=C(C)C(=CC=1C)N)(=O)(=O)O

Computed Properties

  • Exact Mass: 201.04603
  • Monoisotopic Mass: 201.046
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 270
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 0.7
  • Topological Polar Surface Area: 88.8A^2

Experimental Properties

  • Density: 1.368
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.595
  • PSA: 80.39
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