Cas no 24851-73-8 (2-Phenyl-1,3-benzothiazole-5-carboxylic acid)

2-Phenyl-1,3-benzothiazole-5-carboxylic acid structure
24851-73-8 structure
Product Name:2-Phenyl-1,3-benzothiazole-5-carboxylic acid
CAS No:24851-73-8
MF:C14H9NO2S
MW:255.291762113571
CID:2129517
Update Time:2023-08-03

2-Phenyl-1,3-benzothiazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-phenyl-5-Benzothiazolecarboxylic acid
    • 2-phenyl-1,3-benzothiazole-5-carboxylic acid
    • STL387862
    • 2-phenylbenzothiazole-5-carboxylic acid
    • 2-Phenyl-1,3-benzothiazole-5-carboxylic acid
    • Inchi: 1S/C14H9NO2S/c16-14(17)10-6-7-12-11(8-10)15-13(18-12)9-4-2-1-3-5-9/h1-8H,(H,16,17)
    • InChI Key: TYWPDVVKWKYPFW-UHFFFAOYSA-N
    • SMILES: S1C(C2C=CC=CC=2)=NC2C=C(C(=O)O)C=CC1=2

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 317
  • XLogP3: 3.8
  • Topological Polar Surface Area: 78.4

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