Cas no 50382-14-4 (Ethanone,1-(3,5-dimethyl-2-thienyl)-)

Ethanone,1-(3,5-dimethyl-2-thienyl)- structure
50382-14-4 structure
Product Name:Ethanone,1-(3,5-dimethyl-2-thienyl)-
CAS No:50382-14-4
MF:C8H10OS
MW:154.229401111603
CID:375759
PubChem ID:2775365
Update Time:2025-04-19

Ethanone,1-(3,5-dimethyl-2-thienyl)- Chemical and Physical Properties

Names and Identifiers

    • Ethanone,1-(3,5-dimethyl-2-thienyl)-
    • 1-(3,5-DIMETHYL-2-THIENYL)ETHAN-1-ONE
    • 2-ACETYL-3,5-DIMETHYLTHIOPHENE
    • 1-(3,5-Dimethyl-[2]thienyl)-aethanon
    • 1-(3,5-dimethyl-[2]thienyl)-ethanone
    • 2-acetyl-3,5-dimethyl[b]thiophene
    • AC1MCQ6H
    • AG-F-69416
    • BTB11193
    • CTK4J2546
    • EINECS 256-570-8
    • SureCN102004
    • 1-(3,5-dimethylthiophen-2-yl)ethan-1-one
    • 1-(3,5-dimethyl-thiophen-2-yl)-ethanone
    • NS00032051
    • SCHEMBL102004
    • DTXSID00198436
    • 1-(3,5-dimethylthiophen-2-yl)ethanone
    • MFCD00130087
    • 50382-14-4
    • Inchi： 1S/C8H10OS/c1-5-4-6(2)10-8(5)7(3)9/h4H,1-3H3
    • InChI Key： FMKRVVWJCNTZMK-UHFFFAOYSA-N
    • SMILES： S1C(C)=CC(C)=C1C(C)=O

Computed Properties

  • Exact Mass: 154.0453
  • Monoisotopic Mass: 154.045236
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 144
  • 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: 45.3
  • XLogP3: 2.4

Experimental Properties

  • Density: 1.078
  • Boiling Point: 61 °C
  • Flash Point: 105.3 °C
  • Refractive Index: 1.532
  • PSA: 17.07

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