Cas no 147137-35-7 (Isoxazole,5-methyl-3-(3-thienyl)-)

Isoxazole,5-methyl-3-(3-thienyl)- structure
147137-35-7 structure
Product Name:Isoxazole,5-methyl-3-(3-thienyl)-
CAS No:147137-35-7
MF:C8H7NOS
MW:165.212280511856
CID:100858
PubChem ID:10920867
Update Time:2025-04-18

Isoxazole,5-methyl-3-(3-thienyl)- Chemical and Physical Properties

Names and Identifiers

    • Isoxazole,5-methyl-3-(3-thienyl)-
    • Isoxazole, 5-methyl-3-(3-thienyl)- (9CI)
    • 147137-35-7
    • 5-methyl-3-thiophen-3-yl-1,2-oxazole
    • 5-methyl-3-(3-thienyl)isoxazole
    • 5-methyl-3-thiophen-3-yl-isoxazole
    • 5-methyl-3-(thiophen-3-yl)isoxazole
    • ISOXAZOLE, 5-METHYL-3-(3-THIENYL)-
    • DB-287795
    • Inchi: 1S/C8H7NOS/c1-6-4-8(9-10-6)7-2-3-11-5-7/h2-5H,1H3
    • InChI Key: OBMASRKHGWBVBN-UHFFFAOYSA-N
    • SMILES: S1C=CC(=C1)C1C=C(C)ON=1

Computed Properties

  • Exact Mass: 165.02491
  • Monoisotopic Mass: 165.02483502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 142
  • 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: 54.3?2

Experimental Properties

  • PSA: 26.03
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