Cas no 132064-28-9 (4-(1,3-benzothiazol-2-yl)benzene-1,2-diamine)

4-(1,3-Benzothiazol-2-yl)benzene-1,2-diamine is a heterocyclic aromatic compound featuring a benzothiazole core linked to a benzene-1,2-diamine moiety. This structure imparts unique electronic and coordination properties, making it valuable in organic synthesis and materials science. The compound’s bifunctional nature—combining an electron-rich benzothiazole group with a reactive diamine—enhances its utility as a precursor for ligands, dyes, and coordination complexes. Its planar aromatic system facilitates π-stacking interactions, while the diamine group allows for further functionalization, such as polymerization or metal chelation. This compound is particularly relevant in the development of optoelectronic materials and catalytic systems due to its stable yet modifiable framework.
4-(1,3-benzothiazol-2-yl)benzene-1,2-diamine structure
132064-28-9 structure
Product Name:4-(1,3-benzothiazol-2-yl)benzene-1,2-diamine
CAS No:132064-28-9
MF:C13H11N3S
MW:241.311540842056
CID:1229372
PubChem ID:4962451
Update Time:2025-06-07

4-(1,3-benzothiazol-2-yl)benzene-1,2-diamine Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenediamine, 4-(2-benzothiazolyl)-
    • SR-01000069776
    • 4-(1,3-benzothiazol-2-yl)benzene-1,2-diamine
    • SR-01000069776-1
    • EN300-13466
    • MFCD06655874
    • 2-amino-4-(1,3-benzothiazol-2-yl)phenylamine
    • 132064-28-9
    • SCHEMBL7836371
    • 4-(Benzo[d]thiazol-2-yl)benzene-1,2-diamine
    • G57471
    • Inchi： 1S/C13H11N3S/c14-9-6-5-8(7-10(9)15)13-16-11-3-1-2-4-12(11)17-13/h1-7H,14-15H2
    • InChI Key： ICSPQPFVCIHHSE-UHFFFAOYSA-N
    • SMILES： S1C2C=CC=CC=2N=C1C1C=CC(=C(C=1)N)N

Computed Properties

  • Exact Mass: 241.06736854g/mol
  • Monoisotopic Mass: 241.06736854g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 273
  • 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: 2.9
  • Topological Polar Surface Area: 93.2?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Melting Point: 187-189 °C
  • Boiling Point: 483.4±55.0 °C at 760 mmHg
  • Flash Point: 246.1±31.5 °C
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

4-(1,3-benzothiazol-2-yl)benzene-1,2-diamine Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
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Enamine
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