Cas no 868591-88-2 (2-Thiazolecarboxylicacid, 4-[4-(1-methylethyl)phenyl]-)

2-Thiazolecarboxylicacid, 4-[4-(1-methylethyl)phenyl]- structure
868591-88-2 structure
Product Name:2-Thiazolecarboxylicacid, 4-[4-(1-methylethyl)phenyl]-
CAS No:868591-88-2
MF:C13H13NO2S
MW:247.3128221035
CID:718968
Update Time:2024-01-31

2-Thiazolecarboxylicacid, 4-[4-(1-methylethyl)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • 2-Thiazolecarboxylicacid, 4-[4-(1-methylethyl)phenyl]-
    • 4-(4-isopropylphenyl)thiazole-2-carboxylic acid
    • 4-(4-propan-2-ylphenyl)-1,3-thiazole-2-carboxylic acid
    • 2-Thiazolecarboxylic acid,4-[4-(1-methylethyl)phenyl]-
    • 4-(4-isopropylphenyl)thiazole-2-Carbocylic acid
    • 4-[4-(1-methylethyl)phenyl]-2-Thiazolecarboxylicacid
    • Inchi: 1S/C13H13NO2S/c1-8(2)9-3-5-10(6-4-9)11-7-17-12(14-11)13(15)16/h3-8H,1-2H3,(H,15,16)
    • InChI Key: IFTCAWBJYGEYLY-UHFFFAOYSA-N
    • SMILES: S1C=C(C2=CC=C(C(C)C)C=C2)N=C1C(O)=O

Computed Properties

  • Exact Mass: 247.067
  • Monoisotopic Mass: 247.067
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 275
  • 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
  • Topological Polar Surface Area: 78.4A^2
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