Cas no 159013-60-2 (3-(5-Bromo-2-thienyl)-1-propene)

3-(5-Bromo-2-thienyl)-1-propene structure
159013-60-2 structure
Product Name:3-(5-Bromo-2-thienyl)-1-propene
CAS No:159013-60-2
MF:C7H7BrS
MW:203.099479913712
MDL:MFCD09801334
CID:877928
PubChem ID:10013111
Update Time:2025-04-19

3-(5-Bromo-2-thienyl)-1-propene Chemical and Physical Properties

Names and Identifiers

    • 3-(5-Bromo-2-thienyl)-1-propene
    • 2-bromo-5-prop-2-enylthiophene
    • AKOS016017204
    • 2-BROMO-5-(PROP-2-EN-1-YL)THIOPHENE
    • DTXSID60434140
    • Thiophene, 2-bromo-5-(2-propen-1-yl)-
    • MFCD09801334
    • SCHEMBL4700523
    • DB-203780
    • 159013-60-2
    • MDL: MFCD09801334
    • Inchi: 1S/C7H7BrS/c1-2-3-6-4-5-7(8)9-6/h2,4-5H,1,3H2
    • InChI Key: DCROCGAIWXCJHW-UHFFFAOYSA-N
    • SMILES: BrC1=CC=C(CC=C)S1

Computed Properties

  • Exact Mass: 201.94521
  • Monoisotopic Mass: 201.945
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 103
  • 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: 28.2A^2
  • XLogP3: 3.7

Experimental Properties

  • Density: 1.456
  • Boiling Point: 218.035°C at 760 mmHg
  • Flash Point: 85.665°C
  • Refractive Index: 1.577
  • PSA: 0
  • LogP: 3.23910

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