Cas no 115417-53-3 (Thiophene, 3-butoxy-)

Thiophene, 3-butoxy- structure
Thiophene, 3-butoxy- structure
Product Name:Thiophene, 3-butoxy-
CAS No:115417-53-3
MF:C8H12OS
MW:156.245281219482
CID:1205408
PubChem ID:15033728
Update Time:2025-04-20

Thiophene, 3-butoxy- Chemical and Physical Properties

Names and Identifiers

    • Thiophene, 3-butoxy-
    • 3-butoxythiophene
    • DTXSID80567267
    • 115417-53-3
    • SCHEMBL151357
    • Inchi: 1S/C8H12OS/c1-2-3-5-9-8-4-6-10-7-8/h4,6-7H,2-3,5H2,1H3
    • InChI Key: NZSSXTMHSXMZBL-UHFFFAOYSA-N
    • SMILES: S1C=CC(=C1)OCCCC

Computed Properties

  • Exact Mass: 510.29699
  • Monoisotopic Mass: 156.06088618g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 85.3
  • 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: 2.8
  • Topological Polar Surface Area: 37.5?2

Experimental Properties

  • PSA: 18.46
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