Cas no 95-22-7 (4-(6'-methyl-2',6-bibenzothiazol-2-yl)aniline)

4-(6'-methyl-2',6-bibenzothiazol-2-yl)aniline structure
95-22-7 structure
Product Name:4-(6'-methyl-2',6-bibenzothiazol-2-yl)aniline
CAS No:95-22-7
MF:C21H15N3S2
MW:373.493901491165
CID:1001510
PubChem ID:66764
Update Time:2025-04-20

4-(6'-methyl-2',6-bibenzothiazol-2-yl)aniline Chemical and Physical Properties

Names and Identifiers

    • 4-(6'-methyl-2',6-bibenzothiazol-2-yl)aniline
    • 4-[6-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]aniline
    • 4-[6-(6-Methyl-2-benzothiazolyl)-2-benzothiazolyl]aniline
    • NSC 242018
    • 2,6'-Bibenzothiazole, 2'-(p-aminophenyl)-6-methyl-
    • DTXSID0059118
    • Benzenamine,6'-bibenzothiazol]-2'-yl)-
    • 2-[2-(p-aminophenyl)-6-benzothiazolyl]-6-methylbenzothiazole
    • 95-22-7
    • EINECS 202-400-2
    • 2, 2'-(p-aminophenyl)-6-methyl-
    • NS00040440
    • Benzenamine, 4-(6-methyl(2,6'-bibenzothiazol)-2'-yl)-
    • AKOS026745465
    • NSC-242018
    • Benzenamine, 4-(6-methyl[2,6'-bibenzothiazol]-2'-yl)-
    • SCHEMBL2628249
    • NSC242018
    • YLEIZZYNXHCGKG-UHFFFAOYSA-N
    • Inchi: 1S/C21H15N3S2/c1-12-2-8-16-18(10-12)25-21(24-16)14-5-9-17-19(11-14)26-20(23-17)13-3-6-15(22)7-4-13/h2-11H,22H2,1H3
    • InChI Key: YLEIZZYNXHCGKG-UHFFFAOYSA-N
    • SMILES: S1C2C=C(C)C=CC=2N=C1C1C=CC2=C(C=1)SC(C1C=CC(=CC=1)N)=N2

Computed Properties

  • Exact Mass: 373.070739
  • Monoisotopic Mass: 373.070739
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 2
  • Complexity: 496
  • 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
  • Topological Polar Surface Area: 108
  • XLogP3: 5.8

Experimental Properties

  • Density: 1.372±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 616°C at 760 mmHg
  • Flash Point: 326.4°C
  • Refractive Index: 1.77
  • Solubility: Insuluble (3.2E-4 g/L) (25 oC),
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