Cas no 2789-24-4 (Benzo[1,2-d:5,4-d']bisthiazole-2,6-diamine)

Benzo[1,2-d:5,4-d']bisthiazole-2,6-diamine structure
2789-24-4 structure
Product Name:Benzo[1,2-d:5,4-d']bisthiazole-2,6-diamine
CAS No:2789-24-4
MF:C8H6N4S2
MW:222.290037631989
CID:240186
PubChem ID:844005
Update Time:2025-04-19

Benzo[1,2-d:5,4-d']bisthiazole-2,6-diamine Chemical and Physical Properties

Names and Identifiers

    • Benzo[1,2-d:5,4-d']bisthiazole-2,6-diamine
    • [1,3]thiazolo[4,5-f][1,3]benzothiazole-2,6-diamine
    • 2,6-Diaminobenzo[1,2-d:5,4-d']bisthiazole
    • Benzo[1,2-d:5,4-d']bisthiazole,2,6-diamino- (6CI,7CI,8CI)
    • Oprea1_656594
    • Oprea1_231271
    • [1, 3]thiazolo[4, 5-f][1, 3]benzothiazole-2, 6-diamine
    • CHEMBL331032
    • ALSFHDCCAKIYIQ-UHFFFAOYSA-N
    • ST076754
    • 2789-24-4
    • DTXSID50357117
    • Benzo[1,2-d:5,4-d']bis(thiazole)-2,6-diamine
    • AKOS000598477
    • EU-0000734
    • Benzo[1,2-d:5,4-d]bisthiazole-2,6-diamine (9CI)
    • SCHEMBL9963480
    • SR-01000393896-1
    • Z56971163
    • 2,6-diamino-benzo[1,2-d:5,4-d']bisthiazole
    • SR-01000393896
    • Inchi: 1S/C8H6N4S2/c9-7-11-3-1-4-6(2-5(3)13-7)14-8(10)12-4/h1-2H,(H2,9,11)(H2,10,12)
    • InChI Key: ALSFHDCCAKIYIQ-UHFFFAOYSA-N
    • SMILES: S1C(N)=NC2C=C3C(=CC1=2)SC(N)=N3

Computed Properties

  • Exact Mass: 222.00358
  • Monoisotopic Mass: 222.00338856g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 217
  • 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: 2.1
  • Topological Polar Surface Area: 134?2

Experimental Properties

  • PSA: 77.82
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