Cas no 27711-76-8 (Benzenesulfonic acid,2-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthracenyl)amino]-5-methyl-)

Benzenesulfonic acid,2-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthracenyl)amino]-5-methyl- structure
27711-76-8 structure
Product Name:Benzenesulfonic acid,2-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthracenyl)amino]-5-methyl-
CAS No:27711-76-8
MF:C22H18N2O5S
MW:422.453724384308
CID:281924
PubChem ID:78119
Update Time:2025-04-19

Benzenesulfonic acid,2-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthracenyl)amino]-5-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,2-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthracenyl)amino]-5-methyl-
    • 2-[(4-amino-3-methyl-9,10-dioxoanthracen-1-yl)amino]-5-methylbenzenesulfonic acid
    • 2-[(4-amino-3-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-5-methylbenzenesulfonic acid
    • 4-((4-Amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino)toluene-3-sulphonic acid
    • 2-[(4-Amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthracenyl)amino]-5-methylbenzenesulfonic acid
    • 27711-76-8
    • NS00028357
    • Benzenesulfonic acid, 2-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthracenyl)amino]-5-methyl-
    • 4-((4-Amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino)toluene-3-sulfonic acid
    • 5HX9DL6CCK
    • Acid blue 47 free acid
    • EINECS 248-620-2
    • DTXSID40182071
    • Inchi： 1S/C22H18N2O5S/c1-11-7-8-15(17(9-11)30(27,28)29)24-16-10-12(2)20(23)19-18(16)21(25)13-5-3-4-6-14(13)22(19)26/h3-10,24H,23H2,1-2H3,(H,27,28,29)
    • InChI Key： NPTFPGVUCJVNBW-UHFFFAOYSA-N
    • SMILES： S(C1C=C(C)C=CC=1NC1C=C(C)C(=C2C(C3C=CC=CC=3C(C2=1)=O)=O)N)(=O)(=O)O

Computed Properties

  • Exact Mass: 422.09374
  • Monoisotopic Mass: 422.09364285g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 3
  • Complexity: 794
  • 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: 4.3
  • Topological Polar Surface Area: 135?2

Experimental Properties

  • PSA: 126.56

Benzenesulfonic acid,2-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthracenyl)amino]-5-methyl- Related Literature

27711-76-8 (Benzenesulfonic acid,2-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthracenyl)amino]-5-methyl-) Related Products

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