Cas no 391936-75-7 (2-Thiophenecarboxylicacid, 5-formyl-4-methyl-, methyl ester)

2-Thiophenecarboxylic acid, 5-formyl-4-methyl-, methyl ester is a specialized heterocyclic compound featuring a thiophene backbone with formyl and methyl substituents. This ester derivative is particularly valuable in organic synthesis and pharmaceutical research due to its reactive aldehyde group, which facilitates further functionalization. The methyl ester moiety enhances solubility in organic solvents, making it suitable for various coupling reactions. Its structural features are advantageous in the development of thiophene-based intermediates for agrochemicals, dyes, and active pharmaceutical ingredients. The compound’s purity and stability under standard conditions ensure consistent performance in synthetic applications. Careful handling is recommended due to its potential sensitivity to moisture and light.
2-Thiophenecarboxylicacid, 5-formyl-4-methyl-, methyl ester structure
391936-75-7 structure
Product Name:2-Thiophenecarboxylicacid, 5-formyl-4-methyl-, methyl ester
CAS No:391936-75-7
MF:C8H8O3S
MW:184.212321281433
CID:299236
PubChem ID:53436949
Update Time:2025-10-29

2-Thiophenecarboxylicacid, 5-formyl-4-methyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Thiophenecarboxylicacid, 5-formyl-4-methyl-, methyl ester
    • methyl 5-formyl-4-methylthiophene-2-carboxylate
    • 5-formyl-4-methylthiophene-2-carboxylic acid methyl ester
    • AG-F-38391
    • CTK4I1076
    • METHYL 5-FORMYL-4-METHYL-2-THIOPHENECARBOXYLATE
    • 391936-75-7
    • DTXSID20700974
    • MFCD04972647
    • SCHEMBL7431737
    • AKOS006294431
    • Inchi： 1S/C8H8O3S/c1-5-3-6(8(10)11-2)12-7(5)4-9/h3-4H,1-2H3
    • InChI Key： SKMVXVNHOBFLNF-UHFFFAOYSA-N
    • SMILES： S1C(C(=O)OC)=CC(C)=C1C=O

Computed Properties

  • Exact Mass: 184.01944
  • Monoisotopic Mass: 184.019
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 193
  • 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: 71.6A^2
  • XLogP3: 1.9

Experimental Properties

  • Melting Point: 76.3℃
  • PSA: 43.37

2-Thiophenecarboxylicacid, 5-formyl-4-methyl-, methyl ester Security Information

  • Safety Term：S24/25

2-Thiophenecarboxylicacid, 5-formyl-4-methyl-, methyl ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB149686-1g
Methyl 5-formyl-4-methyl-2-thiophenecarboxylate; .
 391936-75-7
1g
 €850.90 2025-04-19

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