Cas no 30984-27-1 (4-methyl-1-(thiophen-2-yl)pentane-1,3-dione)

4-methyl-1-(thiophen-2-yl)pentane-1,3-dione structure
30984-27-1 structure
Product Name:4-methyl-1-(thiophen-2-yl)pentane-1,3-dione
CAS No:30984-27-1
MF:C10H12O2S
MW:196.266081809998
CID:320034
PubChem ID:255136
Update Time:2025-04-19

4-methyl-1-(thiophen-2-yl)pentane-1,3-dione Chemical and Physical Properties

Names and Identifiers

    • 1,3-Pentanedione,4-methyl-1-(2-thienyl)-
    • 4-methyl-1-thiophen-2-ylpentane-1,3-dione
    • 4-methyl-1-thiophen-2-yl-pentane-1,3-dione
    • 4-methyl-1-(thiophen-2-yl)pentane-1,3-dione
    • AKOS012623921
    • 4-Methyl-1-(2-thienyl)-1,3-pentanedione
    • XRTHXGCCCJCFGT-UHFFFAOYSA-N
    • 30984-27-1
    • NSC-80390
    • DTXSID60292121
    • EN300-1125071
    • NSC80390
    • Inchi: 1S/C10H12O2S/c1-7(2)8(11)6-9(12)10-4-3-5-13-10/h3-5,7H,6H2,1-2H3
    • InChI Key: XRTHXGCCCJCFGT-UHFFFAOYSA-N
    • SMILES: S1C=CC=C1C(CC(C(C)C)=O)=O

Computed Properties

  • Exact Mass: 196.05600
  • Monoisotopic Mass: 196.056
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 211
  • 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: 2.1
  • Topological Polar Surface Area: 62.4?2

Experimental Properties

  • Density: 1.128
  • Boiling Point: 311.2°C at 760 mmHg
  • Flash Point: 142°C
  • Refractive Index: 1.523
  • PSA: 62.38000
  • LogP: 2.54600

4-methyl-1-(thiophen-2-yl)pentane-1,3-dione Pricemore >>

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