Cas no 89556-10-5 (Thiophene, 3-bromo-5-methyl-2-(1-propynyl)-)

Thiophene, 3-bromo-5-methyl-2-(1-propynyl)- structure
89556-10-5 structure
Product Name:Thiophene, 3-bromo-5-methyl-2-(1-propynyl)-
CAS No:89556-10-5
MF:C8H7BrS
MW:215.110180139542
CID:596711
PubChem ID:13167529
Update Time:2025-04-19

Thiophene, 3-bromo-5-methyl-2-(1-propynyl)- Chemical and Physical Properties

Names and Identifiers

    • Thiophene, 3-bromo-5-methyl-2-(1-propynyl)-
    • 3-bromo-5-methyl-2-prop-1-ynylthiophene
    • 3-Bromo-5-methyl-2-(prop-1-yn-1-yl)thiophene
    • DTXSID10524267
    • 89556-10-5
    • Inchi: 1S/C8H7BrS/c1-3-4-8-7(9)5-6(2)10-8/h5H,1-2H3
    • InChI Key: XDBGRBIFEVDQEE-UHFFFAOYSA-N
    • SMILES: BrC1=C(C#CC)SC(C)=C1

Computed Properties

  • Exact Mass: 213.94518g/mol
  • Monoisotopic Mass: 213.94518g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 176
  • 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: 3.5
  • Topological Polar Surface Area: 28.2?2
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