Cas no 6537-66-2 ([2,6'-Bibenzothiazole]-7-sulfonicacid, 2',2'''-(1,2-diazenediyldi-4,1-phenylene)bis[6-methyl-, sodium salt (1:2))

[2,6'-Bibenzothiazole]-7-sulfonicacid, 2',2'''-(1,2-diazenediyldi-4,1-phenylene)bis[6-methyl-, sodium salt (1:2) structure
6537-66-2 structure
Product Name:[2,6'-Bibenzothiazole]-7-sulfonicacid, 2',2'''-(1,2-diazenediyldi-4,1-phenylene)bis[6-methyl-, sodium salt (1:2)
CAS No:6537-66-2
MF:C42H24N6Na2O6S6
MW:947.046102523804
CID:503622
PubChem ID:44134685
Update Time:2025-04-19

[2,6'-Bibenzothiazole]-7-sulfonicacid, 2',2'''-(1,2-diazenediyldi-4,1-phenylene)bis[6-methyl-, sodium salt (1:2) Chemical and Physical Properties

Names and Identifiers

    • [2,6'-Bibenzothiazole]-7-sulfonicacid, 2',2'''-(1,2-diazenediyldi-4,1-phenylene)bis[6-methyl-, sodium salt (1:2)
    • [2,6'-Bibenzothiazole]-7-sulfonicacid
    • DIRECT YELLOW 29
    • C.I. Direct Yellow 29
    • Chloramine yellow g
    • Direct Fast Yellow 5R
    • Direct Fast Yellow B
    • DURAZOL YELLOW
    • Saturn Yellow LRT
    • Solar Yellow B
    • Triamin Yellow RT.
    • 6537-66-2
    • dipotassium 6-methyl-2-{2-[4-(2-{4-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl}diazen-1-yl)phenyl]-1,3-benzothiazol-6-yl}-1,3-benzothiazole-7-sulfonate
    • disodium;6-methyl-2-[2-[4-[[4-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]phenyl]diazenyl]phenyl]-1,3-benzothiazol-6-yl]-1,3-benzothiazole-7-sulfonate
    • C.I. 19556
    • CI 19556
    • sodium (E)-2',2''-(4,4'-(diazene-1,2-diyl)bis(4,1-phenylene))bis(6-methyl-2,6'-bibenzo[d]thiazole-7-sulfonate)
    • Q27896534
    • Sodium 6-methyl-2'-(4-((4-(6-methyl-7-sulfonato-[2,6'-bibenzo[d]thiazol]-2'-yl)phenyl)diazenyl)phenyl)-[2,6'-bibenzo[d]thiazole]-7-sulfonate
    • NSC-326208
    • ZZMVQXGPIIXLMO-UHFFFAOYSA-L
    • Inchi: 1S/C42H26N6O6S6.2Na/c1-21-3-15-31-35(37(21)59(49,50)51)57-41(45-31)25-9-17-29-33(19-25)55-39(43-29)23-5-11-27(12-6-23)47-48-28-13-7-24(8-14-28)40-44-30-18-10-26(20-34(30)56-40)42-46-32-16-4-22(2)38(36(32)58-42)60(52,53)54;;/h3-20H,1-2H3,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2/b48-47+;;
    • InChI Key: ZZMVQXGPIIXLMO-NOHQDRAESA-L
    • SMILES: S1C(C2=CC=C3C(=C2)SC(C2C=CC(=CC=2)/N=N/C2C=CC(=CC=2)C2=NC4=CC=C(C=C4S2)C2=NC4=CC=C(C)C(=C4S2)S(=O)(=O)[O-])=N3)=NC2=CC=C(C)C(=C12)S(=O)(=O)[O-].[Na+].[Na+]

Computed Properties

  • Exact Mass: 945.98800
  • Monoisotopic Mass: 945.98769811g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 62
  • Rotatable Bond Count: 6
  • Complexity: 1620
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 320?2

Experimental Properties

  • PSA: 320.40000
  • LogP: 13.79540

[2,6'-Bibenzothiazole]-7-sulfonicacid, 2',2'''-(1,2-diazenediyldi-4,1-phenylene)bis[6-methyl-, sodium salt (1:2) Pricemore >>

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