Cas no 10360-31-3 ([2,6'-Bibenzothiazole]-7-sulfonicacid, 2'-(4-aminophenyl)-6-methyl-, sodium salt (1:1))

[2,6'-Bibenzothiazole]-7-sulfonicacid, 2'-(4-aminophenyl)-6-methyl-, sodium salt (1:1) structure
10360-31-3 structure
Product Name:[2,6'-Bibenzothiazole]-7-sulfonicacid, 2'-(4-aminophenyl)-6-methyl-, sodium salt (1:1)
CAS No:10360-31-3
MF:C21H14N3NaO3S3
MW:475.538931369781
CID:171278
PubChem ID:3769888
Update Time:2025-04-19

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

Names and Identifiers

    • [2,6'-Bibenzothiazole]-7-sulfonicacid, 2'-(4-aminophenyl)-6-methyl-, sodium salt (1:1)
    • [2,6'-Bibenzothiazole]-7-sulfonic acid, 2'-(p-aminophenyl)-6-methyl-, sodium salt
    • sodium 2'-(4-aminophenyl)-6-methyl[2,6'-bibenzothiazole]-7-sulphonate
    • [2,6'-Bibenzothiazole]-7-sulfonic acid, 2'-(4-aminophenyl)-6-methyl-, monosodium salt
    • 2'-(4-Aminophenyl)-6-methyl-2,6'-bi[benzothiazole]-7-sulfonic acid sodium salt
    • C.I. Direct yellow 59, monosodium salt
    • Nsc143368
    • Primuline, Dye content 50 %
    • DTXSID1065051
    • NS00086866
    • Q7243701
    • SODIUM 2'-(4-AMINOPHENYL)-6-METHYL[2,6'-BIBENZOTHIAZOLE]-7-SULFONATE
    • AKOS024370845
    • sodium 2-[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonate
    • SCHEMBL95545
    • CHEBI:90399
    • CHEMBL3974381
    • P0603
    • Sodium 2'-(4-aminophenyl)-6-methyl(2,6'-bibenzothiazole)-7-sulphonate
    • sodium 2'-(4-aminophenyl)-6-methyl[2,6'-bi-1,3-benzothiazole]-7-sulfonate
    • 10360-31-3
    • NSC 143368
    • (2,6'-Bibenzothiazole)-7-sulfonic acid, 2'-(4-aminophenyl)-6-methyl-, sodium salt (1:1)
    • (2,6'-Bibenzothiazole)-7-sulfonic acid, 2'-(4-aminophenyl)-6-methyl-, monosodium salt
    • sodium 2/'-(4-aminophenyl)-6-methyl[2,6/'-bibenzothiazole]-7-sulphonate
    • EINECS 233-781-3
    • Primuline ,
    • sodium;2-[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonate
    • MFCD00005798
    • Primuline
    • MDL： MFCD00005798
    • Inchi： 1S/C21H15N3O3S3.Na/c1-11-2-8-16-18(19(11)30(25,26)27)29-21(24-16)13-5-9-15-17(10-13)28-20(23-15)12-3-6-14(22)7-4-12;/h2-10H,22H2,1H3,(H,25,26,27);/q;+1/p-1
    • InChI Key： RSRNHSYYBLEMOI-UHFFFAOYSA-M
    • SMILES： S1C(C2=CC=C3C(=C2)SC(C2C=CC(=CC=2)N)=N3)=NC2=CC=C(C)C(=C12)S(=O)(=O)[O-].[Na+]

Computed Properties

  • Exact Mass: 453.02775
  • Monoisotopic Mass: 475.00949912g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 3
  • Complexity: 731
  • 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: 174?2

Experimental Properties

  • PSA: 106.17
  • LogP: 7.03930

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

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