Cas no 50382-35-9 ((2,4-dimethyl-1,3-thiazol-5-yl)acetonitrile)

(2,4-Dimethyl-1,3-thiazol-5-yl)acetonitrile is a versatile heterocyclic nitrile compound featuring a thiazole core with methyl substituents at the 2- and 4-positions. Its reactive acetonitrile moiety makes it a valuable intermediate in organic synthesis, particularly for constructing complex heterocyclic frameworks. The compound’s structural features enhance its utility in pharmaceutical and agrochemical research, where it serves as a precursor for bioactive molecules. Its stability under standard conditions and compatibility with various reaction conditions further contribute to its practicality in multi-step synthetic routes. The electron-withdrawing nitrile group also facilitates further functionalization, enabling diverse derivatization strategies for targeted applications.
(2,4-dimethyl-1,3-thiazol-5-yl)acetonitrile structure
50382-35-9 structure
Product Name:(2,4-dimethyl-1,3-thiazol-5-yl)acetonitrile
CAS No:50382-35-9
MF:C7H8N2S
MW:152.216819763184
MDL:MFCD02323016
CID:933671
PubChem ID:236570
Update Time:2025-05-28

(2,4-dimethyl-1,3-thiazol-5-yl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • (2,4-dimethyl-1,3-thiazol-5-yl)acetonitrile
    • 2-(2,4-dimethyl-1,3-thiazol-5-yl)acetonitrile
    • 2-(2,4-DIMETHYLTHIAZOL-5-YL)ACETONITRILE
    • 2,4-dimethyl-5-Thiazoleacetonitrile
    • 1,3-Dioxolane-2-aceticacid,2,4-dimethyl-,ethylester
    • 2,4-Dimethyl-2-aethoxycarbonylmethyl-1,3-dioxolan
    • 2,4-Dimethyl-5-thiazolyl-acetonitril
    • 2,6-DIMETHOXYPYRIDINE-4-BORONIC ACID,PINACOL ESTER
    • 3-dioxolane-2-aceticacid,2,4-dimethyl-ethylester
    • Acetoaceticacid,ethylester,1,2-propyleneketal
    • Ethyl actoacetate propyleneglycol ketal
    • ETHYL DIMETHYL DIOXOLANE ACETATE
    • ETHYL-2,4-DIMETHYL-1,3-DIOXOLANE-2-ACETATE
    • FRAISTONE
    • MDL: MFCD02323016
    • Inchi: InChI=1S/C7H8N2S/c1-5-7(3-4-8)10-6(2)9-5/h3H2,1-2H3
    • InChI Key: SIYOYGXOPJUZAG-UHFFFAOYSA-N
    • SMILES: CC1=C(CC#N)SC(=N1)C

Computed Properties

  • Exact Mass: 152.04100
  • Monoisotopic Mass: 152.041
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 160
  • 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: 64.9A^2
  • XLogP3: 1.4

Experimental Properties

  • Density: 1.162
  • Boiling Point: 280.6°C at 760 mmHg
  • Flash Point: 123.5°C
  • Refractive Index: 1.552
  • PSA: 64.92000
  • LogP: 1.82598

(2,4-dimethyl-1,3-thiazol-5-yl)acetonitrile Pricemore >>

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