Cas no 105219-07-6 (2-(1,3-benzothiazol-2-yl)terephthalic Acid)

2-(1,3-benzothiazol-2-yl)terephthalic Acid structure
105219-07-6 structure
Product Name:2-(1,3-benzothiazol-2-yl)terephthalic Acid
CAS No:105219-07-6
MF:C15H9NO4S
MW:299.301262617111
CID:1151628
PubChem ID:4302236
Update Time:2025-04-20

2-(1,3-benzothiazol-2-yl)terephthalic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-(1,3-benzothiazol-2-yl)terephthalic Acid
    • 1,4-Benzenedicarboxylic acid, 2-(2-benzothiazolyl)-
    • ChemDiv3_000198
    • AC1N7GPF
    • SureCN9296572
    • ACMC-20m819
    • CTK0D7600
    • MolPort-003-724-318
    • HMS1473I22
    • CCG-15158
    • 1,4-Benzenedicarboxylic acid, 2-(2-benzothiazolyl)-; ChemDiv3_000198; AC1N7GPF; SureCN9296572; ACMC-20m819; CTK0D7600; MolPort-003-724-318; HMS1473I22; CCG-15158;
    • DGXLWTWFCBNANR-UHFFFAOYSA-N
    • AKOS004912631
    • SR-01000390489-1
    • 2-(Benzo[d]thiazol-2-yl)terephthalic acid
    • IDI1_019516
    • SR-01000390489
    • 105219-07-6
    • 2-benzothiazole terephthalic acid
    • DTXSID60401716
    • 2-benzthiazoleterephthalic acid
    • SCHEMBL9296572
    • Inchi: 1S/C15H9NO4S/c17-14(18)8-5-6-9(15(19)20)10(7-8)13-16-11-3-1-2-4-12(11)21-13/h1-7H,(H,17,18)(H,19,20)
    • InChI Key: DGXLWTWFCBNANR-UHFFFAOYSA-N
    • SMILES: S1C2C=CC=CC=2N=C1C1C=C(C(=O)O)C=CC=1C(=O)O

Computed Properties

  • Exact Mass: 299.02522894g/mol
  • Monoisotopic Mass: 299.02522894g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 430
  • 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: 3.1
  • Topological Polar Surface Area: 116?2
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