Cas no 4891-29-6 (2-(2,2-dimethylpropyl)thiophene)

2-(2,2-dimethylpropyl)thiophene structure
4891-29-6 structure
Product Name:2-(2,2-dimethylpropyl)thiophene
CAS No:4891-29-6
MF:C9H14S
MW:154.272461414337
MDL:MFCD30292087
CID:2168324
PubChem ID:546189
Update Time:2025-04-21

2-(2,2-dimethylpropyl)thiophene Chemical and Physical Properties

Names and Identifiers

    • 2-Neopentylthiophene
    • 2-(2,2-dimethylpropyl)thiophene
    • DB-251610
    • SCHEMBL73501
    • Thiophene, 2-neopentyl-
    • Thiophene, 2-(2,2-dimethylpropyl)-
    • 4891-29-6
    • EN300-22060026
    • 966-059-8
    • MDL: MFCD30292087
    • Inchi: 1S/C9H14S/c1-9(2,3)7-8-5-4-6-10-8/h4-6H,7H2,1-3H3
    • InChI Key: CKEFAAZAPOLRPW-UHFFFAOYSA-N
    • SMILES: S1C=CC=C1CC(C)(C)C

Computed Properties

  • Exact Mass: 154.08162162Da
  • Monoisotopic Mass: 154.08162162Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 102
  • 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: 4.1
  • Topological Polar Surface Area: 28.2?2

2-(2,2-dimethylpropyl)thiophene Pricemore >>

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