Cas no 10132-80-6 ([2,6':2',6''-Terbenzothiazole]-7-sulfonicacid, 2''-(4-aminophenyl)-6-methyl-, sodium salt (1:1))

[2,6':2',6''-Terbenzothiazole]-7-sulfonicacid, 2''-(4-aminophenyl)-6-methyl-, sodium salt (1:1) structure
10132-80-6 structure
Product Name:[2,6':2',6''-Terbenzothiazole]-7-sulfonicacid, 2''-(4-aminophenyl)-6-methyl-, sodium salt (1:1)
CAS No:10132-80-6
MF:C28H17N4NaO3S4
MW:608.709351301193
CID:227341
PubChem ID:23679268
Update Time:2025-04-19

[2,6':2',6''-Terbenzothiazole]-7-sulfonicacid, 2''-(4-aminophenyl)-6-methyl-, sodium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • [2,6':2',6''-Terbenzothiazole]-7-sulfonicacid, 2''-(4-aminophenyl)-6-methyl-, sodium salt (1:1)
    • 17,18-dichloro-9-ethyl-3,6-bis(hydroxymethyl)-13-phenyl-1,4,7,10,14-pentazabicyclo[14.3.0]nonadecane-2,5,8,11,15-pentone
    • sodium 2''-(p-aminophenyl)-6-methyl[2,6':2',6''-terbenzothiazole]-7-sulphonate
    • (2,6':2',6''-Terbenzothiazole)-7-sulfonic acid, 2''-(4-aminophenyl)-6-methyl-, monosodium salt
    • (2,6':2',6''-Terbenzothiazole)-7-sulfonic acid, 2''-(4-aminophenyl)-6-methyl-, sodium salt (1:1)
    • sodium 2''-(4-aminophenyl)-6-methyl-2,6':2',6''-ter-1,3-benzothiazole-7-sulfonate
    • Sodium 2''-(p-aminophenyl)-6-methyl(2,6':2',6''-terbenzothiazole)-7-sulphonate
    • Einecs 233-370-9
    • Sodium 2''-(p-aminophenyl)-6-methyl[2,6':2',6''-terbenzothiazole]-7-sulfonate
    • 2''-(4-Aminophenyl)-6-methyl-2,6':2',6''-terbenzothiazole-7-sulfonic acid sodium salt
    • [2,6':2',6''-Terbenzothiazole]-7-sulfonic acid, 2''-(4-aminophenyl)-6-methyl-, monosodium salt
    • DTXSID5064962
    • sodium;2-[2-[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonate
    • NS00044717
    • 10132-80-6
    • Inchi： 1S/C28H18N4O3S4.Na/c1-14-2-9-21-24(25(14)39(33,34)35)38-28(32-21)17-6-11-20-23(13-17)37-27(31-20)16-5-10-19-22(12-16)36-26(30-19)15-3-7-18(29)8-4-15;/h2-13H,29H2,1H3,(H,33,34,35);/q;+1/p-1
    • InChI Key： AKGLQCZVRWSQHL-UHFFFAOYSA-M
    • SMILES： S1C(C2C=CC3=C(C=2)SC(C2=CC=C4C(=C2)SC(C2C=CC(=CC=2)N)=N4)=N3)=NC2=CC=C(C)C(=C12)S(=O)(=O)[O-].[Na+]

Computed Properties

  • Exact Mass: 608.00841
  • Monoisotopic Mass: 608.00811939g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 4
  • Complexity: 999
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 215?2

Experimental Properties

  • PSA: 177.17

[2,6':2',6''-Terbenzothiazole]-7-sulfonicacid, 2''-(4-aminophenyl)-6-methyl-, sodium salt (1:1) Related Literature

10132-80-6 ([2,6':2',6''-Terbenzothiazole]-7-sulfonicacid, 2''-(4-aminophenyl)-6-methyl-, sodium salt (1:1)) Related Products

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