Cas no 40808-25-1 (5-Ethyl-4-methylthiophene-2-carboxylic acid)

5-Ethyl-4-methylthiophene-2-carboxylic acid is a heterocyclic carboxylic acid derivative featuring a thiophene ring substituted with ethyl and methyl groups at the 4- and 5-positions, respectively. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and functional materials. Its structural features, including the electron-rich thiophene core and carboxylic acid functionality, enable diverse reactivity, such as coupling reactions or further derivatization. The compound's stability and well-defined purity make it suitable for precise synthetic applications. Its utility in medicinal chemistry is underscored by its potential as a building block for bioactive molecules, including kinase inhibitors or antimicrobial agents.
5-Ethyl-4-methylthiophene-2-carboxylic acid structure
40808-25-1 structure
Product Name:5-Ethyl-4-methylthiophene-2-carboxylic acid
CAS No:40808-25-1
MF:C8H10O2S
MW:170.228801250458
MDL:MFCD06654975
CID:1037851
PubChem ID:3854263
Update Time:2025-08-10

5-Ethyl-4-methylthiophene-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Ethyl-4-methylthiophene-2-carboxylic acid
    • 5-ETHYL-4-METHYL-THIOPHENE-2-CARBOXYLIC ACID
    • HMS1697M01
    • AKOS000303343
    • G25938
    • 40808-25-1
    • EN300-07617
    • MFCD06654975
    • DTXSID90397375
    • DB-368697
    • CS-0452343
    • Z90123545
    • 5-Ethyl-4-methylthiophene-2-carboxylicacid
    • MDL： MFCD06654975
    • Inchi： 1S/C8H10O2S/c1-3-6-5(2)4-7(11-6)8(9)10/h4H,3H2,1-2H3,(H,9,10)
    • InChI Key： SEXVSXHBZYIGMF-UHFFFAOYSA-N
    • SMILES： S1C(C(=O)O)=CC(C)=C1CC

Computed Properties

  • Exact Mass: 170.04000
  • Monoisotopic Mass: 170.04015073g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 158
  • 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: 2.7
  • Topological Polar Surface Area: 65.5?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 298.8±28.0 °C at 760 mmHg
  • PSA: 65.54000
  • LogP: 2.31710
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

5-Ethyl-4-methylthiophene-2-carboxylic acid Security Information

5-Ethyl-4-methylthiophene-2-carboxylic acid Customs Data

  • HS CODE：2934999090
  • Customs Data：

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-Ethyl-4-methylthiophene-2-carboxylic acid Pricemore >>

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