Cas no 13678-54-1 (4-ethyl-2-methylthiophene)

4-ethyl-2-methylthiophene structure
4-ethyl-2-methylthiophene structure
Product Name:4-ethyl-2-methylthiophene
CAS No:13678-54-1
MF:C7H10S
MW:126.219300746918
MDL:MFCD18451805
CID:901423
PubChem ID:518801
Update Time:2025-04-19

4-ethyl-2-methylthiophene Chemical and Physical Properties

Names and Identifiers

    • thiophene, 4-ethyl-2-methyl-
    • 4-ethyl-2-methylthiophene
    • MDL: MFCD18451805
    • Inchi: 1S/C7H10S/c1-3-7-4-6(2)8-5-7/h4-5H,3H2,1-2H3
    • InChI Key: KIWVMUQUYOKTKU-UHFFFAOYSA-N
    • SMILES: S1C=C(C=C1C)CC

Computed Properties

  • Exact Mass: 126.0504
  • Monoisotopic Mass: 126.05032149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 70.8
  • 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: 2.8
  • Topological Polar Surface Area: 28.2?2

Experimental Properties

  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 159.9±9.0 °C at 760 mmHg
  • Flash Point: 33.1±4.9 °C
  • PSA: 0
  • Vapor Pressure: 3.2±0.3 mmHg at 25°C

4-ethyl-2-methylthiophene Security Information

4-ethyl-2-methylthiophene Pricemore >>

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