Cas no 4861-62-5 (2-Butyl-5-propylthiophene)

2-Butyl-5-propylthiophene structure
2-Butyl-5-propylthiophene structure
Product Name:2-Butyl-5-propylthiophene
CAS No:4861-62-5
MF:C11H18S
MW:182.325622081757
CID:2667044
PubChem ID:587446
Update Time:2025-04-21

2-Butyl-5-propylthiophene Chemical and Physical Properties

Names and Identifiers

    • 2-Butyl-5-propylthiophene
    • 2-Butyl-5-propylthiophene #
    • DTXSID901312508
    • Thiophene, 2-butyl-5-propyl-
    • SCHEMBL18626758
    • PHDIECZGRATECW-UHFFFAOYSA-N
    • 4861-62-5
    • Inchi: 1S/C11H18S/c1-3-5-7-11-9-8-10(12-11)6-4-2/h8-9H,3-7H2,1-2H3
    • InChI Key: PHDIECZGRATECW-UHFFFAOYSA-N
    • SMILES: S1C(=CC=C1CCCC)CCC

Computed Properties

  • Exact Mass: 182.11292175Da
  • Monoisotopic Mass: 182.11292175Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 112
  • 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: 4.5
  • Topological Polar Surface Area: 28.2?2
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