Cas no 885279-05-0 (2-(3,4-dimethylphenyl)-1,3-thiazole-4-carbaldehyde)

2-(3,4-dimethylphenyl)-1,3-thiazole-4-carbaldehyde structure
885279-05-0 structure
Product Name:2-(3,4-dimethylphenyl)-1,3-thiazole-4-carbaldehyde
CAS No:885279-05-0
MF:C12H11NOS
MW:217.286841630936
CID:711619
PubChem ID:53249851
Update Time:2025-07-31

2-(3,4-dimethylphenyl)-1,3-thiazole-4-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-Thiazolecarboxaldehyde,2-(3,4-dimethylphenyl)-
    • 2-(3,4-dimethylphenyl)-1,3-thiazole-4-carbaldehyde
    • 2-(3,4-Dimethyl-phenyl)-thiazole-4-carbaldehyde
    • 2-(3,4-DIMETHYLPHENYL)THIAZOLE-4-CARBALDEHYDE,
    • 2-(2,2,3,3-TETRAFLUOROPROPANOYL)CYCLOHEXANONE
    • 4-Thiazolecarboxaldehyde,2-(3,4-dimethylphenyl)
    • TRANS-CHRYSANTHEMYLALCOHOL
    • A861908
    • AB26981
    • DTXSID40693091
    • 2-(3,4-dimethylphenyl)thiazole-4-carbaldehyde
    • FT-0750448
    • 885279-05-0
    • DB-077790
    • Inchi: 1S/C12H11NOS/c1-8-3-4-10(5-9(8)2)12-13-11(6-14)7-15-12/h3-7H,1-2H3
    • InChI Key: XHBMPZBWUCAFAX-UHFFFAOYSA-N
    • SMILES: S1C=C(C=O)N=C1C1C=CC(C)=C(C)C=1

Computed Properties

  • Exact Mass: 217.05600
  • Monoisotopic Mass: 217.05613515g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 234
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.1
  • Topological Polar Surface Area: 58.2?2

Experimental Properties

  • PSA: 58.20000
  • LogP: 3.23940

2-(3,4-dimethylphenyl)-1,3-thiazole-4-carbaldehyde Pricemore >>

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