Cas no 80945-69-3 (5-Benzothiazolecarboxylicacid, 2-hydrazinyl-)

5-Benzothiazolecarboxylicacid, 2-hydrazinyl- structure
80945-69-3 structure
Product Name:5-Benzothiazolecarboxylicacid, 2-hydrazinyl-
CAS No:80945-69-3
MF:C8H7N3O2S
MW:209.225079774857
CID:707927
PubChem ID:21329943
Update Time:2025-04-19

5-Benzothiazolecarboxylicacid, 2-hydrazinyl- Chemical and Physical Properties

Names and Identifiers

    • 5-Benzothiazolecarboxylicacid, 2-hydrazinyl-
    • 2-hydrazinyl-1,3-benzothiazole-5-carboxylic acid
    • 5-Benzothiazolecarboxylicacid,2-hydrazino-(6CI,9CI)
    • DTXSID30612539
    • SCHEMBL11205987
    • 80945-69-3
    • Inchi: 1S/C8H7N3O2S/c9-11-8-10-5-3-4(7(12)13)1-2-6(5)14-8/h1-3H,9H2,(H,10,11)(H,12,13)
    • InChI Key: KFQGHKHDJZZHIR-UHFFFAOYSA-N
    • SMILES: S1C(NN)=NC2C=C(C(=O)O)C=CC1=2

Computed Properties

  • Exact Mass: 209.02589765g/mol
  • Monoisotopic Mass: 209.02589765g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 239
  • 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: -0.8
  • Topological Polar Surface Area: 117?2
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