Cas no 125165-73-3 (Benzenesulfonic acid,2-[2-[4-(dimethylamino)phenyl]diazenyl]-)

Benzenesulfonic acid,2-[2-[4-(dimethylamino)phenyl]diazenyl]- structure
125165-73-3 structure
Product Name:Benzenesulfonic acid,2-[2-[4-(dimethylamino)phenyl]diazenyl]-
CAS No:125165-73-3
MF:C14H15N3O3S
MW:305.352201700211
CID:215690
PubChem ID:147868
Update Time:2025-04-19

Benzenesulfonic acid,2-[2-[4-(dimethylamino)phenyl]diazenyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,2-[2-[4-(dimethylamino)phenyl]diazenyl]-
    • 2-{(E)-[4-(dimethylamino)phenyl]diazenyl}benzenesulfonic acid
    • 2-(4-dimethylaminophenyl)diazenylbenzenesulfonic acid
    • 2-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonic acid
    • 4-Dimethylaminoazobenzene-2'-sulfonic acid
    • Benzenesulfonic acid, 2-[2-[4-(dimethylamino)phenyl]diazenyl]-
    • SCHEMBL333388
    • Benzenesulfonic acid, 2-[[4-(dimethylamino)phenyl]azo]-
    • 125165-73-3
    • DTXSID101039655
    • Inchi: 1S/C14H15N3O3S/c1-17(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)21(18,19)20/h3-10H,1-2H3,(H,18,19,20)/b16-15+
    • InChI Key: NYEYRSGIVKKHMU-FOCLMDBBSA-N
    • SMILES: S(C1C=CC=CC=1/N=N/C1C=CC(=CC=1)N(C)C)(=O)(=O)O

Computed Properties

  • Exact Mass: 305.08355
  • Monoisotopic Mass: 305.08341252g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 451
  • 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: 2.6
  • Topological Polar Surface Area: 90.7?2

Experimental Properties

  • PSA: 82.33
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