Cas no 173841-81-1 (2,4-Dimethylthiazole-5-carboxylic acid)

2,4-Dimethylthiazole-5-carboxylic acid is a heterocyclic organic compound featuring a thiazole ring substituted with methyl groups at the 2- and 4-positions and a carboxylic acid moiety at the 5-position. This structure imparts reactivity suitable for use as a building block in pharmaceutical and agrochemical synthesis. Its carboxylic acid functionality allows for further derivatization, enabling the formation of amides, esters, or other derivatives. The compound’s stability and well-defined reactivity profile make it valuable in medicinal chemistry for the development of bioactive molecules. It is typically handled under standard laboratory conditions, with purity and consistency being critical for reproducible results in synthetic applications.
2,4-Dimethylthiazole-5-carboxylic acid structure
173841-81-1 structure
Product Name:2,4-Dimethylthiazole-5-carboxylic acid
CAS No:173841-81-1
MF:C7H9NO2S
MW:171.216860532761
MDL:MFCD06204193
CID:2950683
PubChem ID:10559095
Update Time:2025-10-18

2,4-Dimethylthiazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2,4-二甲基-5-噻唑羧酸甲酯
    • Methyl 2,4-dimethyl-5-thiazolecarboxylate
    • METHYL 2,4-DIMETHYL-1,3-THIAZOLE-5-CARBOXYLATE
    • Methyl 2,4-dimethylthiazole-5-carboxylate
    • 5-Thiazolecarboxylic acid, 2,4-dimethyl-, methyl ester
    • Methyl2,4-dimethylthiazole-5-carboxylate
    • W18908
    • DTXSID001208704
    • SCHEMBL10049913
    • AKOS006241250
    • 173841-81-1
    • AS-65087
    • MFCD06204193
    • 2,4-Dimethylthiazole-5-carboxylic acid
    • MDL: MFCD06204193
    • Inchi: 1S/C7H9NO2S/c1-4-6(7(9)10-3)11-5(2)8-4/h1-3H3
    • InChI Key: QTQFXMIWXGHNQS-UHFFFAOYSA-N
    • SMILES: S1C(C)=NC(C)=C1C(=O)OC

Computed Properties

  • Exact Mass: 171.03539970Da
  • Monoisotopic Mass: 171.03539970Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 163
  • 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: 1.9
  • Topological Polar Surface Area: 67.4

Experimental Properties

  • Density: 1.200±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 8.8 oC
  • Boiling Point: 236.6±20.0 oC (760 Torr),
  • Flash Point: 96.9±21.8 oC,
  • Refractive Index: 1.524 (20 oC)
  • Solubility: Dissolution (57 g/l) (25 o C),

2,4-Dimethylthiazole-5-carboxylic acid Security Information

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